Basic information
- CAS
50892-10-9- Standard SMILES
O=P1(NCCCl)OCCC(O)N1CCCl- InChIKey
JHUJMHKRHQPBRG-UHFFFAOYSA-N- Molecular formula
- C7H15Cl2N2O3P
- Average molar mass
- 277.08 g/mol
- Monoisotopic mass
- 276.0197347
Names & identifiers
- Preferred name
- 4-Hydroxyifosfamide
- IUPAC
- 3-(2-chloroethyl)-2-(2-chloroethylamino)-2-oxo-1,3,2lambda5-oxazaphosphinan-4-ol
Names & synonyms
4-Hydroxyifosfamide4-Hydroxyisophosphamide50892-10-9NSC-208841ASTA-6569ARX5AJ985I2H-1,3,2-Oxazaphosphorin-4-ol, 3-(2-chloroethyl)-2-((2-chloroethyl)amino)tetrahydro-, 2-oxideDTXSID903087493-(2-Chloroethyl)-2-((2-chloroethyl)amino)-1,3,2-oxazaphosphinan-4-ol 2-oxide4-hydroxy-ifosfamideRefChem:99329DTXCID50956725
Show more names
3-(2-Chloroethyl)-2-((2-chloroethyl)amino)-4-hydroxy-1,3,2-oxazaphosphinane 2-oxideUNII-ARX5AJ985INSC208841CHEMBL733SCHEMBL10413711CHEBI:80560JHUJMHKRHQPBRG-UHFFFAOYSA-NNS00116171
Database identifiers
- CAS
50892-10-9、67292-64-2- PubChem CID
- 308171
- DTXSID
DTXSID90308749- ChEBI
CHEBI:80560- UNII
- ARX5AJ985I
- Nikkaji
- J2.235.734D、J426.678A
Properties
Computed structural properties
- XLogP
- 0.2
- Topological polar surface area
- 61.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 244
Chemistry & industry
Pharmacology
Metabolism/Metabolites
4-Hydroxyifosfamide has known human metabolites that include (2S)-2-amino-5-[[(2R)-1-(carboxymethylamino)-3-[[3-(2-chloroethyl)-2-(2-chloroethylamino)-2-oxo-1,3,2lambda5-oxazaphosphinan-4-yl]oxysulfanyl]-1-oxopropan-2-yl]amino]-5-oxopentanoic acid.
Tissue LocationsKidney；Liver
Cellular LocationsExtracellular
Metabolite PathwaysIfosfamide Action Pathway；Ifosfamide Metabolism Pathway
Related reactions
3 records
Compound notes
Loading…