Molecular Identity
B-701
3-[[bis(2-chloroethyl)amino-(3-chloropropoxy)phosphoryl]amino]propan-1-ol
PubChem CID: 95987
2D Structure
Properties
C10H22Cl3N2O3P
Molecular Formula
355.60
Molecular Weight
g/mol
354.0434
Exact Mass
Da
1.2
XLogP
Drug-like (Lipinski: < 5)
61.8
TPSA
Good oral absorption (< 140 A²)
2
H-Bond Donors
5
H-Bond Acceptors
256
Complexity
SMILES
Canonical SMILES
SMILES: Synonyms(14)
B-701RefChem:1077448NSC-46406H9ESY6L2YL78218-88-9Phosphorodiamidic acid, N,N-bis(2-chloroethyl)-N'-(3-hydroxypropyl)-, (3-chloropropyl) esterB 701NSC 46406UNII-H9ESY6L2YL3-chloropropyl n,n-bis(2-chloroethyl)-n'-(3-hydroxypropyl)phosphorodiamidateNSC464063-[[bis(2-chloroethyl)amino-(3-chloropropoxy)phosphoryl]amino]propan-1-olPhosphorodiamidic acid, N,N-bis(2-chloroethyl)-N'-(3-hydroxypropyl)-, 3-chloropropyl esterPhosphorodiamidic acid,N-bis(2-chloroethyl)-N'-(3-hydroxypropyl)-, 3-chloropropyl ester
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to B-701
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