Cyclophosphamide monohydrate

C7H17Cl2N2O3PCAS 6055-19-2279.10 g/mol

H2OOPNClClHNO
Alkyl halide

Properties

Molecular formula
C7H17Cl2N2O3P
Molar mass
279.10 g/mol
Exact mass
278.0354 Da
Melting point
41–45 °C
logP
1.06Crippen estimate
Polar surface area
73.1 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
5

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
6055-19-2
SMILES
O.O=P1(N(CCCl)CCCl)NCCCO1
InChIKey
PWOQRKCAHTVFLB-UHFFFAOYSA-N
InChI
InChI=1S/C7H15Cl2N2O2P.H2O/c8-2-5-11(6-3-9)14(12)10-4-1-7-13-14;/h1-7H2,(H,10,12);1H2

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Names and synonyms

6 names
  • 2H-1,3,2-Oxazaphosphorin-2-amine, N,N-bis(2-chloroethyl)tetrahydro-, 2-oxide, hydrate (1:1)
  • 2H-1,3,2-Oxazaphosphorine, 2-[bis(2-chloroethyl)amino]tetrahydro-, 2-oxide, monohydrate
  • 2H-1,3,2-Oxazaphosphorin-2-amine, N,N-bis(2-chloroethyl)tetrahydro-, 2-oxide, monohydrate
  • 2-[Bis(2-chloroethyl)amino]tetrahydro-2H-1,3,2-oxazaphosphorine-2-oxide monohydrate
  • Endoxan monohydrate
  • Cyclophosphamide hydrate

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Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

Similar compounds

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

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