chempirical

2'-Oxo ifosfamide

C7H13Cl2N2O3PCAS 72578-71-3275.07 g/mol

Open in Covalent MOL file
NPOONHClOCl
Alkyl halideAmide

Properties

Molecular formula
C7H13Cl2N2O3P
Molar mass
275.07 g/mol
Exact mass
274.0041 Da
logP
1.41Crippen estimate
Polar surface area
58.6 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
4

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
72578-71-3
SMILES
C1CN(P(=O)(OC1)NCCCl)C(=O)CCl
InChIKey
KJRISYCCYWZCOF-UHFFFAOYSA-N
InChI
InChI=1S/C7H13Cl2N2O3P/c8-2-3-10-15(13)11(7(12)6-9)4-1-5-14-15/h1-6H2,(H,10,13)

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Names and synonyms

1 names
  • 3-(2-Chloroactyl)-2-[(2-chloroethyl)amino]tetrahydro-2H-1,3,2-oxazaphosphorine-2-oxide

Work with 2'-Oxo ifosfamide

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

Ifosfamide3778-73-260 % similar Cyclophosphamide50-18-051 % similar Cyclophosphamide monohydrate6055-19-248 % similar 4-(Chloroacetyl)morpholine1440-61-533 % similar 2-Chloro-1-(1-pyrrolidinyl)ethanone20266-00-632 % similar 2-Chloro-1-(1-piperidinyl)ethanone1440-60-431 % similar N,N′-Bis(2-chloroethyl)phosphorodiamidic acid31645-39-330 % similar

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

Elsewhere

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