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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

Cyclophosphamide monohydrate, 97%

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
2

4-Oxo Cyclophosphamide, TRC

CAS: 27046-19-1 Molecular Formula: C7 H12 Cl2 N O4 P Molecular Weight (g/mol): 276.05 IUPAC Name: 2-[bis(2-chloroethyl)amino]-2-oxo-1,3,2λ^{5}-dioxaphosphinan-5-one SMILES: ClCCN(CCCl)P1(=O)OCC(=O)CO1

CAS 27046-19-1
Molecular Weight (g/mol) 276.05
SMILES ClCCN(CCCl)P1(=O)OCC(=O)CO1
IUPAC Name 2-[bis(2-chloroethyl)amino]-2-oxo-1,3,2λ^{5}-dioxaphosphinan-5-one
Molecular Formula C7 H12 Cl2 N O4 P
3

N-Nitrosotris-(2-chloroethyl)urea (90%), TRC

CAS: 69113-01-5 Molecular Formula: C7 H12 Cl3 N3 O2 Molecular Weight (g/mol): 276.55 IUPAC Name: 1,1,3-tris(2-chloroethyl)-3-nitrosourea SMILES: ClCCN(CCCl)C(=O)N(CCCl)N=O

CAS 69113-01-5
Molecular Weight (g/mol) 276.55
SMILES ClCCN(CCCl)C(=O)N(CCCl)N=O
IUPAC Name 1,1,3-tris(2-chloroethyl)-3-nitrosourea
Molecular Formula C7 H12 Cl3 N3 O2
4

4-Hydroperoxy Cyclophosphamide, TRC

CAS: 39800-16-3 Molecular Formula: C7 H15 Cl2 N2 O4 P Molecular Weight (g/mol): 293.08 IUPAC Name: N,N-bis(2-chloroethyl)-4-hydroperoxy-2-oxo-1,3,2λ^{5}-oxazaphosphinan-2-amine SMILES: OOC1CCOP(=O)(N1)N(CCCl)CCCl

CAS 39800-16-3
Molecular Weight (g/mol) 293.08
SMILES OOC1CCOP(=O)(N1)N(CCCl)CCCl
IUPAC Name N,N-bis(2-chloroethyl)-4-hydroperoxy-2-oxo-1,3,2λ^{5}-oxazaphosphinan-2-amine
Molecular Formula C7 H15 Cl2 N2 O4 P
5

Hydroxy Cyclophosphamide Semicarbazone (80%), TRC

CAS: 53948-46-2 Molecular Formula: C8H18Cl2N5O3P Molecular Weight (g/mol): 334.14 Synonym: N,N-bis(2-chloroethyl)phosphorodiamidic Acid 3-[2-(Aminocarbonyl)hydrazinylidene]propyl Ester,NSC 319519,Aldophosphamide Semicarbazone; SMILES: O=P(N(CCCl)CCCl)(N)OCC/C=N/NC(N)=O

CAS 53948-46-2
Molecular Weight (g/mol) 334.14
SMILES O=P(N(CCCl)CCCl)(N)OCC/C=N/NC(N)=O
Synonym N,N-bis(2-chloroethyl)phosphorodiamidic Acid 3-[2-(Aminocarbonyl)hydrazinylidene]propyl Ester,NSC 319519,Aldophosphamide Semicarbazone;
Molecular Formula C8H18Cl2N5O3P
6

Carboxyphosphamide, TRC

CAS: 22788-18-7 Molecular Formula: C7 H15 Cl2 N2 O4 P Molecular Weight (g/mol): 293.08 Synonym: 3-[[Amino[bis(2-chloroethyl)amino]phosphinyl]oxy]propanoic Acid,N,N-Bis(2-chloroethyl)phosphorodiamidate Hydracrylic Acid,Asta 5754,Carboxycyclophosphamide,NSC 145124; IUPAC Name: 3-[amino-[bis(2-chloroethyl)amino]phosphoryl]oxypropanoic acid SMILES: NP(=O)(OCCC(=O)O)N(CCCl)CCCl

CAS 22788-18-7
Molecular Weight (g/mol) 293.08
SMILES NP(=O)(OCCC(=O)O)N(CCCl)CCCl
Synonym 3-[[Amino[bis(2-chloroethyl)amino]phosphinyl]oxy]propanoic Acid,N,N-Bis(2-chloroethyl)phosphorodiamidate Hydracrylic Acid,Asta 5754,Carboxycyclophosphamide,NSC 145124;
IUPAC Name 3-[amino-[bis(2-chloroethyl)amino]phosphoryl]oxypropanoic acid
Molecular Formula C7 H15 Cl2 N2 O4 P