CHEBI:1864 - 4-hydroxycyclophosphamide

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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 0
Average Mass 277.08500
Monoisotopic Mass 276.020
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.
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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
Database Links Databases
4-Hydroxycyclophosphamide Wikipedia
C07643 KEGG COMPOUND
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Registry Numbers Types Sources
40277-05-2 CAS Registry Number ChemIDplus
526395 Reaxys Registry Number Reaxys
Last Modified
12 January 2012