Fotemustine
1-(2-chloroethyl)-3-(1-diethoxyphosphorylethyl)-1-nitrosourea
Molecular Identity
Fotemustine
1-(2-chloroethyl)-3-(1-diethoxyphosphorylethyl)-1-nitrosourea
PubChem CID: 104799
Diethyl (1-{[(2-chloroethyl)(nitroso)carbamoyl]amino}ethyl)phosphonate is a member of the class of N-nitrosoureas that is ethyl diethylphosphonate in the hydrogen at position 1 of the ethyl group attached to the phosphorus has been replaced by a [(2-chloroethyl)(nitroso)carbamoyl]amino group. It is an organochlorine compound, an organic phosphonate and a member of N-nitrosoureas.
2D Structure
Properties
C9H19ClN3O5P
Molecular Formula
315.69
Molecular Weight
g/mol
315.0751
Exact Mass
Da
0.9
XLogP
Drug-like (Lipinski: < 5)
97.3
TPSA
Good oral absorption (< 140 A²)
1
H-Bond Donors
6
H-Bond Acceptors
334
Complexity
SMILES
Canonical SMILES
SMILES: Synonyms(20)
Fotemustine92118-27-9MuphoranMustophoraneFotemustinaMustoforanServier-10036FotemustinumS-10036S 10036GQ7JL9P5I2Diethyl-1-(3-(2-chloroethyl)-3-nitrosoureido)ethylphosphonates10036DTXSID80869091Phosphonic acid, (1-((((2-chloroethyl)nitrosoamino)carbonyl)amino)ethyl)-, diethyl ester
Data from PubChem (NCBI)
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