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Fotemustine

CAT: 1299-RM-F1923500-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:1299-RM-F1923500-01Size:10 mg
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CAS Number
92118-27-9
Synonyms
Diethyl (1- (3- (2-chloroethyl) -3-nitrosoureido) ethyl) phosphonate
Molecular Formula
C9H19ClN3O5P
Molecular Weight
315.69
Target Alternative Name
Fotemustine

Chemical Information

Fotemustine

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that is ethyl diethylphosphonate in the hydrogen at position 1 of the ethyl group attached to the phosphorus has been replaced by a [(2-chloroethyl)(nitroso)carbamoyl]amino group.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.

CAS Number92118-27-9
PubChem CID104799
IUPAC Name1-(2-chloroethyl)-3-(1-diethoxyphosphorylethyl)-1-nitrosourea
Molecular FormulaC9H19ClN3O5P
Molecular Weight315.69
XLogP0.9
Topological Polar Surface Area97.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count8
Heavy Atom Count19
Formal Charge0
Complexity334
SMILES
CCOP(=O)(C(C)NC(=O)N(CCCl)N=O)OCC
InChI
InChI=1S/C9H19ClN3O5P/c1-4-17-19(16,18-5-2)8(3)11-9(14)13(12-15)7-6-10/h8H,4-7H2,1-3H3,(H,11,14)
InChIKey
YAKWPXVTIGTRJH-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Fotemustine
CAS: 92118-27-9
CID: 104799
Formula: C9H19ClN3O5P
MW: 315.69
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight315.69
XLogP30.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count8
Exact Mass315.0750854
Monoisotopic Mass315.0750854
Topological Polar Surface Area97.3 Ų
Heavy Atom Count19
Formal Charge0
Complexity334
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
B2648-25Fotemustine

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