4-hydroxycyclophosphamide (CHEBI:1864)

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ChEBI Name	4-hydroxycyclophosphamide

ChEBI ID	CHEBI:1864

Definition	A phosphorodiamide that consists of 2-amino-1,3,2-oxazaphosphinan-4-ol 2-oxide having two 2-chloroethyl groups attached to the exocyclic nitrogen.

Stars	This entity has been manually annotated by the ChEBI Team.

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Formula

C7H15Cl2N2O3P

Net Charge

Average Mass

277.08500

Monoisotopic Mass

276.01973

InChI

InChI=1S/C7H15Cl2N2O3P/c8-2-4-11(5-3-9)15(13)10-7(12)1-6-14-15/h7,12H,1-6H2,(H,10,13)

InChIKey

RANONBLIHMVXAJ-UHFFFAOYSA-N

SMILES

OC1CCOP(=O)(N1)N(CCCl)CCCl

Roles Classification
Biological Role(s):	alkylating agent Highly reactive chemical that introduces alkyl radicals into biologically active molecules and thereby prevents their proper functioning. It could be used as an antineoplastic agent, but it might be very toxic, with carcinogenic, mutagenic, teratogenic, and immunosuppressant actions. It could also be used as a component of poison gases. (via nitrogen mustard ) metabolite Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.

ChEBI Ontology
Outgoing	4-hydroxycyclophosphamide (CHEBI:1864) has role alkylating agent (CHEBI:22333) 4-hydroxycyclophosphamide (CHEBI:1864) has role metabolite (CHEBI:25212) 4-hydroxycyclophosphamide (CHEBI:1864) is a nitrogen mustard (CHEBI:37598) 4-hydroxycyclophosphamide (CHEBI:1864) is a organochlorine compound (CHEBI:36683) 4-hydroxycyclophosphamide (CHEBI:1864) is a phosphorodiamide (CHEBI:35467)

IUPAC Name

2-[bis(2-chloroethyl)amino]-1,3,2-oxazaphosphinan-4-ol 2-oxide

Synonyms	Sources
4-Hydroxycyclophosphamide	KEGG COMPOUND
Tetrahydro-2-(bis(2-chloroethyl)amino)-2H-1,3,2-oxazaphosphorin-4-ol 2-oxide	ChemIDplus

Last Modified

12 January 2012