Defosfamide

Base Information

• Chemical Name: Defosfamide
• CAS No.: 3733-81-1
• Molecular Formula: C9H20Cl3N2O3P
• Molecular Weight: 341.601
• NSC Number: 40627
• UNII: 0W33021S30
• DSSTox Substance ID: DTXSID60863259
• Nikkaji Number: J8.224D
• Wikidata: Q27237301
• NCI Thesaurus Code: C2069
• ChEMBL ID: CHEMBL451901
• Mol file: 3733-81-1.mol

Synonyms:Defosfamide;Defosfamid;Desmofosfamide;Mitarson;Desmophosphamidum;3733-81-1;Defosfamide [INN];B 612-Asta;Defosfamida [INN-Spanish];B 612;Defosfamida;Defosfamidum;Defosfamidum [INN-Latin];NSC 40627;NSC-40627;BRN 2460955;C9H20Cl3N2O3P;UNII-0W33021S30;3-[[bis(2-chloroethyl)amino-(2-chloroethoxy)phosphoryl]amino]propan-1-ol;0W33021S30;N,N-Bis(2-chloroethyl)-N'-(3-hydroxypropyl)phosphorodiamidic acid 2-chloroethyl ester;Phosphorodiamidic acid, N,N-bis(2-chloroethyl)-N'-(3-hydroxypropyl)-, (2-chloroethyl) ester;DESMOPHOSPHAMIDE;DEFOSFAMIDE [MI];DEFOSFAMIDE [WHO-DD];SCHEMBL152318;TRICHLORETHOXYPHOSPHAMIDE;CHEMBL451901;DTXSID60863259;NSC40627;4-Hydroxy-biphenyl-4-carboxylicacid;LS-107969;Q27237301;2-chloroethyl N,N-bis(2-chloroethyl)-N'-(3-hydroxypropyl)phosphorodiamidate;Phosphorodiamidic acid, N,N-bis(2-chloroethyl)-N'-(3-hydroxypropyl)-, 2-chloroethyl ester;Phosphorodiamidic acid,N-bis(2-chloroethyl)-N'-(3-hydroxypropyl)-, 2-chloroethyl ester

Chemical Property of Defosfamide

Chemical Property:

• Vapor Pressure: 1.06E-09mmHg at 25°C
• Boiling Point: 442.8°C at 760 mmHg
• Flash Point: 221.6°C
• PSA: 71.61000
• Density: 1.337g/cm³
• LogP: 2.49240
• XLogP3: 0.9
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 12
• Exact Mass: 340.027713
• Heavy Atom Count: 18
• Complexity: 243

Purity/Quality:

DEFOSFAMIDE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C(CNP(=O)(N(CCCl)CCCl)OCCCl)CO
• Therapeutic Function: Antineoplastic