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Nitrogen mustard compounds

Nitrogen mustard compounds

Nitrogen mustards are cytotoxic organic compounds with the chloroethylamine functional group, which consists of the following structure: Cl(CH2)2NR2, where R can be any organic group. They are nitrogen analogs of mustard gas.
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1 – 15 of 17 results
1

Perfluorotributylamine, Mass Spec Std, Thermo Scientific Chemicals

CAS: 311-89-7 Molecular Formula: C12F27N Molecular Weight (g/mol): 671.096 MDL Number: MFCD00000436 InChI Key: RVZRBWKZFJCCIB-UHFFFAOYSA-N Synonym: perfluorotributylamine,tris perfluorobutyl amine,tri perfluorobutyl amine,tris nonafluorobutyl amine,heptacosafluorotributylamine,fluorinert,fluosol 43,perfluorotri-n-butylamine,fluorocarbon fc 43,tri nonafluorobutyl amine PubChem CID: 9397 ChEBI: CHEBI:38854 IUPAC Name: 1,1,2,2,3,3,4,4,4-nonafluoro-N,N-bis(1,1,2,2,3,3,4,4,4-nonafluorobutyl)butan-1-amine SMILES: C(C(C(F)(F)F)(F)F)(C(N(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F

PubChem CID 9397
CAS 311-89-7
Molecular Weight (g/mol) 671.096
ChEBI CHEBI:38854
MDL Number MFCD00000436
SMILES C(C(C(F)(F)F)(F)F)(C(N(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
Synonym perfluorotributylamine,tris perfluorobutyl amine,tri perfluorobutyl amine,tris nonafluorobutyl amine,heptacosafluorotributylamine,fluorinert,fluosol 43,perfluorotri-n-butylamine,fluorocarbon fc 43,tri nonafluorobutyl amine
IUPAC Name 1,1,2,2,3,3,4,4,4-nonafluoro-N,N-bis(1,1,2,2,3,3,4,4,4-nonafluorobutyl)butan-1-amine
InChI Key RVZRBWKZFJCCIB-UHFFFAOYSA-N
Molecular Formula C12F27N
2

N-methyl-bis(trifluoroacetamide), 98%, Thermo Scientific Chemicals

CAS: 685-27-8 Molecular Formula: C5H3F6NO2 Molecular Weight (g/mol): 223.07 InChI Key: AWGBWLXGUPTXHF-UHFFFAOYSA-N Synonym: mbtfa,n-methyl-bis trifluoroacetamide,n-methylbis trifluoroacetamide,2,2,2-trifluoro-n-methyl-n-trifluoroacetyl acetamide,n,n-bis trifluoroacetyl methylamine,2,2,2-trifluoro-n-methyl-n-2,2,2-trifluoroacetyl acetamide,acetamide, 2,2,2-trifluoro-n-methyl-n-trifluoroacetyl,n-methylbistrifluoroacetamide,n-methyl-bis-trifluoroacetamide PubChem CID: 69635 IUPAC Name: 2,2,2-trifluoro-N-methyl-N-(2,2,2-trifluoroacetyl)acetamide SMILES: CN(C(=O)C(F)(F)F)C(=O)C(F)(F)F

PubChem CID 69635
CAS 685-27-8
Molecular Weight (g/mol) 223.07
SMILES CN(C(=O)C(F)(F)F)C(=O)C(F)(F)F
Synonym mbtfa,n-methyl-bis trifluoroacetamide,n-methylbis trifluoroacetamide,2,2,2-trifluoro-n-methyl-n-trifluoroacetyl acetamide,n,n-bis trifluoroacetyl methylamine,2,2,2-trifluoro-n-methyl-n-2,2,2-trifluoroacetyl acetamide,acetamide, 2,2,2-trifluoro-n-methyl-n-trifluoroacetyl,n-methylbistrifluoroacetamide,n-methyl-bis-trifluoroacetamide
IUPAC Name 2,2,2-trifluoro-N-methyl-N-(2,2,2-trifluoroacetyl)acetamide
InChI Key AWGBWLXGUPTXHF-UHFFFAOYSA-N
Molecular Formula C5H3F6NO2
3

Perfluoro-compound FC-40(TM), Thermo Scientific Chemicals

CAS: 51142-49-5 Molecular Formula: C21F48N2 Molecular Weight (g/mol): 1192.168 MDL Number: MFCD01632188 InChI Key: QDOIZVITZUBGOQ-UHFFFAOYSA-N Synonym: fluorinert fc-40,perfluoro-compound fc-40,bis nonafluorobutyl trifluoromethyl amine; perfluorotributylamine,1,1,2,2,3,3,4,4,4-nonafluoro-n,n-bis 1,1,2,2,3,3,4,4,4-nonafluorobutyl butan-1-amine,1,1,2,2,3,3,4,4,4-nonafluoro-n-1,1,2,2,3,3,4,4,4-nonafluorobutyl-n-trifluoromethyl butan-1-amine,1,1,2,2,3,3,4,4,4-nonafluoro-n,n-bis 1,1,2,2,3,3,4,4,4-nonafluorobutyl butan-1-amine; 1,1,2,2,3,3,4,4,4-nonafluoro-n-1,1,2,2,3,3,4,4,4-nonafluorobutyl-n-trifluoromethyl butan-1-amine,bis 1,1,2,2,3,3,4,4,4-nonafluorobutyl trifluoromethyl amine; perfluorotributylamine PubChem CID: 2723673 IUPAC Name: 1,1,2,2,3,3,4,4,4-nonafluoro-N,N-bis(1,1,2,2,3,3,4,4,4-nonafluorobutyl)butan-1-amine;1,1,2,2,3,3,4,4,4-nonafluoro-N-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)-N-(trifluoromethyl)butan-1-amine SMILES: C(C(C(F)(F)F)(F)F)(C(N(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F.C(C(C(F)(F)F)(F)F)(C(N(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)C(F)(F)F)(F)F)(F)F

PubChem CID 2723673
CAS 51142-49-5
Molecular Weight (g/mol) 1192.168
MDL Number MFCD01632188
SMILES C(C(C(F)(F)F)(F)F)(C(N(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F.C(C(C(F)(F)F)(F)F)(C(N(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)C(F)(F)F)(F)F)(F)F
Synonym fluorinert fc-40,perfluoro-compound fc-40,bis nonafluorobutyl trifluoromethyl amine; perfluorotributylamine,1,1,2,2,3,3,4,4,4-nonafluoro-n,n-bis 1,1,2,2,3,3,4,4,4-nonafluorobutyl butan-1-amine,1,1,2,2,3,3,4,4,4-nonafluoro-n-1,1,2,2,3,3,4,4,4-nonafluorobutyl-n-trifluoromethyl butan-1-amine,1,1,2,2,3,3,4,4,4-nonafluoro-n,n-bis 1,1,2,2,3,3,4,4,4-nonafluorobutyl butan-1-amine; 1,1,2,2,3,3,4,4,4-nonafluoro-n-1,1,2,2,3,3,4,4,4-nonafluorobutyl-n-trifluoromethyl butan-1-amine,bis 1,1,2,2,3,3,4,4,4-nonafluorobutyl trifluoromethyl amine; perfluorotributylamine
IUPAC Name 1,1,2,2,3,3,4,4,4-nonafluoro-N,N-bis(1,1,2,2,3,3,4,4,4-nonafluorobutyl)butan-1-amine;1,1,2,2,3,3,4,4,4-nonafluoro-N-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)-N-(trifluoromethyl)butan-1-amine
InChI Key QDOIZVITZUBGOQ-UHFFFAOYSA-N
Molecular Formula C21F48N2
4

Cyclophosphamide monohydrate, 97%, Thermo Scientific Chemicals

CAS: 6055-19-2 Molecular Formula: C7H17Cl2N2O3P Molecular Weight (g/mol): 279.10 MDL Number: MFCD00149395 InChI Key: PWOQRKCAHTVFLB-UHFFFAOYNA-N Synonym: cyclophosphamide monohydrate,cyclophosphamide hydrate,cytoxan,endoxon,endoxan monohydrate,ciclophosphamide hydrat,cytoxan hydrate,endoxan a,cyclophosphamide hydrated PubChem CID: 22420 ChEBI: CHEBI:4026 IUPAC Name: N,N-bis(2-chloroethyl)-2-oxo-1,3,2$l^{5}-oxazaphosphinan-2-amine;hydrate SMILES: O.ClCCN(CCCl)P1(=O)NCCCO1

PubChem CID 22420
CAS 6055-19-2
Molecular Weight (g/mol) 279.10
ChEBI CHEBI:4026
MDL Number MFCD00149395
SMILES O.ClCCN(CCCl)P1(=O)NCCCO1
Synonym cyclophosphamide monohydrate,cyclophosphamide hydrate,cytoxan,endoxon,endoxan monohydrate,ciclophosphamide hydrat,cytoxan hydrate,endoxan a,cyclophosphamide hydrated
IUPAC Name N,N-bis(2-chloroethyl)-2-oxo-1,3,2$l^{5}-oxazaphosphinan-2-amine;hydrate
InChI Key PWOQRKCAHTVFLB-UHFFFAOYNA-N
Molecular Formula C7H17Cl2N2O3P
5

Perfluorotri-n-butylamine, tech. 90%, Thermo Scientific Chemicals

CAS: 311-89-7 Molecular Formula: C12F27N Molecular Weight (g/mol): 671.096 MDL Number: MFCD00000436 InChI Key: RVZRBWKZFJCCIB-UHFFFAOYSA-N Synonym: perfluorotributylamine,tris perfluorobutyl amine,tri perfluorobutyl amine,tris nonafluorobutyl amine,heptacosafluorotributylamine,fluorinert,fluosol 43,perfluorotri-n-butylamine,fluorocarbon fc 43,tri nonafluorobutyl amine PubChem CID: 9397 ChEBI: CHEBI:38854 IUPAC Name: 1,1,2,2,3,3,4,4,4-nonafluoro-N,N-bis(1,1,2,2,3,3,4,4,4-nonafluorobutyl)butan-1-amine SMILES: C(C(C(F)(F)F)(F)F)(C(N(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F

PubChem CID 9397
CAS 311-89-7
Molecular Weight (g/mol) 671.096
ChEBI CHEBI:38854
MDL Number MFCD00000436
SMILES C(C(C(F)(F)F)(F)F)(C(N(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
Synonym perfluorotributylamine,tris perfluorobutyl amine,tri perfluorobutyl amine,tris nonafluorobutyl amine,heptacosafluorotributylamine,fluorinert,fluosol 43,perfluorotri-n-butylamine,fluorocarbon fc 43,tri nonafluorobutyl amine
IUPAC Name 1,1,2,2,3,3,4,4,4-nonafluoro-N,N-bis(1,1,2,2,3,3,4,4,4-nonafluorobutyl)butan-1-amine
InChI Key RVZRBWKZFJCCIB-UHFFFAOYSA-N
Molecular Formula C12F27N
7

N,N-Bis(2-chloroethyl)-p-toluenesulfonamide, tech. 90%, Thermo Scientific Chemicals

CAS: 42137-88-2 Molecular Formula: C11H15Cl2NO2S Molecular Weight (g/mol): 296.206 MDL Number: MFCD00018944 InChI Key: PTVBBIMKLOMGSY-UHFFFAOYSA-N Synonym: n,n-bis 2-chloroethyl-p-toluenesulfonamide,n,n-bis 2-chloroethyl-4-methylbenzenesulfonamide,n,n-bis 2-chloroethyl-p-toluenesulphonamide,n,n-bis .beta.-chloroethyl-p-toluenesulfonamide,n,n-bis 2-chloroethyl-4-toluenesulfonamide,n,n-bis 2'-chloroethyl-4-methylbenzenesulfonamide,n,n-bis 2-chloroethyl-4-methylbenzene sulfonamide,n,n-bis 2-chloroethyl-4-methylbenzene sulphonamide,benzenesulfonamide, n,n-bis 2-chloroethyl-4-methyl,n,n-bis-2-chloro-ethyl-4-methyl-benzenesulfonamide PubChem CID: 96039 IUPAC Name: N,N-bis(2-chloroethyl)-4-methylbenzenesulfonamide SMILES: CC1=CC=C(C=C1)S(=O)(=O)N(CCCl)CCCl

PubChem CID 96039
CAS 42137-88-2
Molecular Weight (g/mol) 296.206
MDL Number MFCD00018944
SMILES CC1=CC=C(C=C1)S(=O)(=O)N(CCCl)CCCl
Synonym n,n-bis 2-chloroethyl-p-toluenesulfonamide,n,n-bis 2-chloroethyl-4-methylbenzenesulfonamide,n,n-bis 2-chloroethyl-p-toluenesulphonamide,n,n-bis .beta.-chloroethyl-p-toluenesulfonamide,n,n-bis 2-chloroethyl-4-toluenesulfonamide,n,n-bis 2'-chloroethyl-4-methylbenzenesulfonamide,n,n-bis 2-chloroethyl-4-methylbenzene sulfonamide,n,n-bis 2-chloroethyl-4-methylbenzene sulphonamide,benzenesulfonamide, n,n-bis 2-chloroethyl-4-methyl,n,n-bis-2-chloro-ethyl-4-methyl-benzenesulfonamide
IUPAC Name N,N-bis(2-chloroethyl)-4-methylbenzenesulfonamide
InChI Key PTVBBIMKLOMGSY-UHFFFAOYSA-N
Molecular Formula C11H15Cl2NO2S
8

Bis(2-chloroethyl)amine hydrochloride, 98%, Thermo Scientific Chemicals

CAS: 821-48-7 Molecular Formula: C4H10Cl3N Molecular Weight (g/mol): 178.481 MDL Number: MFCD00012515 InChI Key: YMDZDFSUDFLGMX-UHFFFAOYSA-N Synonym: bis 2-chloroethyl amine hydrochloride,2,2'-dichlorodiethylamine hydrochloride,2-chloro-n-2-chloroethyl ethanamine hydrochloride,nor-lost hydrochlorid,nor-hn2,ethanamine, 2-chloro-n-2-chloroethyl-, hydrochloride,n,n-bis 2-chloroethyl amine hydrochloride,di-2-chloroethyl amine hydrochloride,2,2-dichlorodiethylamine hydrochloride,bis-2-chloroethyl amine hydrochloride PubChem CID: 522769 IUPAC Name: 2-chloro-N-(2-chloroethyl)ethanamine;hydrochloride SMILES: C(CCl)NCCCl.Cl

PubChem CID 522769
CAS 821-48-7
Molecular Weight (g/mol) 178.481
MDL Number MFCD00012515
SMILES C(CCl)NCCCl.Cl
Synonym bis 2-chloroethyl amine hydrochloride,2,2'-dichlorodiethylamine hydrochloride,2-chloro-n-2-chloroethyl ethanamine hydrochloride,nor-lost hydrochlorid,nor-hn2,ethanamine, 2-chloro-n-2-chloroethyl-, hydrochloride,n,n-bis 2-chloroethyl amine hydrochloride,di-2-chloroethyl amine hydrochloride,2,2-dichlorodiethylamine hydrochloride,bis-2-chloroethyl amine hydrochloride
IUPAC Name 2-chloro-N-(2-chloroethyl)ethanamine;hydrochloride
InChI Key YMDZDFSUDFLGMX-UHFFFAOYSA-N
Molecular Formula C4H10Cl3N
9

Bis(2,2,2-trifluoroethyl)amine, 95%, Thermo Scientific Chemicals

CAS: 407-01-2 Molecular Formula: C4H5F6N Molecular Weight (g/mol): 181.081 MDL Number: MFCD00042094 InChI Key: GTJGHXLFPMOKCE-UHFFFAOYSA-N PubChem CID: 78999 IUPAC Name: 2,2,2-trifluoro-N-(2,2,2-trifluoroethyl)ethanamine SMILES: C(C(F)(F)F)NCC(F)(F)F

PubChem CID 78999
CAS 407-01-2
Molecular Weight (g/mol) 181.081
MDL Number MFCD00042094
SMILES C(C(F)(F)F)NCC(F)(F)F
IUPAC Name 2,2,2-trifluoro-N-(2,2,2-trifluoroethyl)ethanamine
InChI Key GTJGHXLFPMOKCE-UHFFFAOYSA-N
Molecular Formula C4H5F6N
10

Cyclophosphamide Monohydrate, MP Biomedicals

CAS: 6055-19-2 Molecular Formula: C7H17Cl2N2O3P Molecular Weight (g/mol): 279.10 MDL Number: MFCD00149395 InChI Key: PWOQRKCAHTVFLB-UHFFFAOYNA-N Synonym: cyclophosphamide monohydrate,cyclophosphamide hydrate,cytoxan,endoxon,endoxan monohydrate,ciclophosphamide hydrat,cytoxan hydrate,endoxan a,cyclophosphamide hydrated PubChem CID: 22420 ChEBI: CHEBI:4026 IUPAC Name: 2-[bis(2-chloroethyl)amino]-1,3,2λ⁵-oxazaphosphinan-2-one hydrate SMILES: O.ClCCN(CCCl)P1(=O)NCCCO1

PubChem CID 22420
CAS 6055-19-2
Molecular Weight (g/mol) 279.10
ChEBI CHEBI:4026
MDL Number MFCD00149395
SMILES O.ClCCN(CCCl)P1(=O)NCCCO1
Synonym cyclophosphamide monohydrate,cyclophosphamide hydrate,cytoxan,endoxon,endoxan monohydrate,ciclophosphamide hydrat,cytoxan hydrate,endoxan a,cyclophosphamide hydrated
IUPAC Name 2-[bis(2-chloroethyl)amino]-1,3,2λ⁵-oxazaphosphinan-2-one hydrate
InChI Key PWOQRKCAHTVFLB-UHFFFAOYNA-N
Molecular Formula C7H17Cl2N2O3P
14

Bendamustine hydrochloride, Tocris Bioscience™

CAS: 3543-75-7 Molecular Formula: C16H22Cl3N3O2 Molecular Weight (g/mol): 394.721 InChI Key: ZHSKUOZOLHMKEA-UHFFFAOYSA-N Synonym: bendamustine hydrochloride,treanda,bendamustine hcl,ribomustin,cytostasan,bendamustin hydrochloride,treakisym,4-5-bis 2-chloroethyl amino-1-methyl-1h-benzo d imidazol-2-yl butanoic acid hydrochloride,bendeka PubChem CID: 77082 IUPAC Name: 4-[5-[bis(2-chloroethyl)amino]-1-methylbenzimidazol-2-yl]butanoic acid;hydrochloride SMILES: CN1C2=C(C=C(C=C2)N(CCCl)CCCl)N=C1CCCC(=O)O.Cl

PubChem CID 77082
CAS 3543-75-7
Molecular Weight (g/mol) 394.721
SMILES CN1C2=C(C=C(C=C2)N(CCCl)CCCl)N=C1CCCC(=O)O.Cl
Synonym bendamustine hydrochloride,treanda,bendamustine hcl,ribomustin,cytostasan,bendamustin hydrochloride,treakisym,4-5-bis 2-chloroethyl amino-1-methyl-1h-benzo d imidazol-2-yl butanoic acid hydrochloride,bendeka
IUPAC Name 4-[5-[bis(2-chloroethyl)amino]-1-methylbenzimidazol-2-yl]butanoic acid;hydrochloride
InChI Key ZHSKUOZOLHMKEA-UHFFFAOYSA-N
Molecular Formula C16H22Cl3N3O2
15

Perfluorotripentylamine, tech. 85%, Thermo Scientific Chemicals

CAS: 338-84-1 Molecular Formula: C15F33N Molecular Weight (g/mol): 821.119 MDL Number: MFCD00042367 InChI Key: AQZYBQIAUSKCCS-UHFFFAOYSA-N Synonym: perfluorotripentylamine,tris undecafluoropentyl amine,perfluorotri-n-pentylamine,perfluorotriamylamine,fluorinert fc-70,perfluoro-compound fc-70,1-pentanamine, 1,1,2,2,3,3,4,4,5,5,5-undecafluoro-n,n-bis undecafluoropentyl,1,1,2,2,3,3,4,4,5,5,5-undecafluoro-n,n-bis 1,1,2,2,3,3,4,4,5,5,5-undecafluoropentyl pentan-1-amine,1-pentanamine, 1,1,2,2,3,3,4,4,5,5,5-undecafluoro-n,n-bis 1,1,2,2,3,3,4,4,5,5,5-undecafluoropentyl,fluorinert fc 70 PubChem CID: 67646 IUPAC Name: 1,1,2,2,3,3,4,4,5,5,5-undecafluoro-N,N-bis(1,1,2,2,3,3,4,4,5,5,5-undecafluoropentyl)pentan-1-amine SMILES: C(C(C(N(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(C(C(F)(F)F)(F)F)(F)F

PubChem CID 67646
CAS 338-84-1
Molecular Weight (g/mol) 821.119
MDL Number MFCD00042367
SMILES C(C(C(N(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(C(C(F)(F)F)(F)F)(F)F
Synonym perfluorotripentylamine,tris undecafluoropentyl amine,perfluorotri-n-pentylamine,perfluorotriamylamine,fluorinert fc-70,perfluoro-compound fc-70,1-pentanamine, 1,1,2,2,3,3,4,4,5,5,5-undecafluoro-n,n-bis undecafluoropentyl,1,1,2,2,3,3,4,4,5,5,5-undecafluoro-n,n-bis 1,1,2,2,3,3,4,4,5,5,5-undecafluoropentyl pentan-1-amine,1-pentanamine, 1,1,2,2,3,3,4,4,5,5,5-undecafluoro-n,n-bis 1,1,2,2,3,3,4,4,5,5,5-undecafluoropentyl,fluorinert fc 70
IUPAC Name 1,1,2,2,3,3,4,4,5,5,5-undecafluoro-N,N-bis(1,1,2,2,3,3,4,4,5,5,5-undecafluoropentyl)pentan-1-amine
InChI Key AQZYBQIAUSKCCS-UHFFFAOYSA-N
Molecular Formula C15F33N