Fotemustine

C9H19ClN3O5PCAS 92118-27-9315.69 g/mol

Open in Covalent MOL file
OPOONHONClNO
Alkyl halidePhosphonate

Properties

Molecular formula
C9H19ClN3O5P
Molar mass
315.69 g/mol
Exact mass
315.0751 Da
Melting point
85 °C
logP
2.73Crippen estimate
Polar surface area
100.8 Ų
H-bond donors / acceptors
1 / 6
Rotatable bonds
9

Hazards

Warning
Health Hazard (GHS08)

Aggregated from 39 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P203, P280, P318, P405, P501

Identifiers

CAS number
92118-27-9
SMILES
CCOP(=O)(OCC)C(C)N=C(O)N(CCCl)N=O
InChIKey
YAKWPXVTIGTRJH-UHFFFAOYSA-N
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)

Weigh it out

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Names and synonyms

6 names
  • Phosphonic acid, P-[1-[[[(2-chloroethyl)nitrosoamino]carbonyl]amino]ethyl]-, diethyl ester
  • Phosphonic acid, [1-[[[(2-chloroethyl)nitrosoamino]carbonyl]amino]ethyl]-, diethyl ester
  • Muphoran
  • S 10036
  • Mustophorane
  • 1-(2-Chloroethyl)-3-(1-diethoxyphosphorylethyl)-1-nitrosourea

Work with Fotemustine

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Lomustine13010-47-449 % similar Carmustine154-93-845 % similar Ranimustine58994-96-039 % similar Nimustine42471-28-333 % similar 1-(4-Amino-2-methylpyrimidin-5-yl)methyl-3-(2-chloroethyl)-3-nitrosourea hydrochloride55661-38-632 % similar Triethyl 2-phosphonopropionate3699-66-931 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook