CHEBI:4026 - cyclophosphamide hydrate

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ChEBI Name cyclophosphamide hydrate
ChEBI ID CHEBI:4026
Definition The monohydrate of cyclophosphamide.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formulae C7H15Cl2N2O2P.H2O
C7H17Cl2N2O3P
Net Charge 0
Average Mass 279.10100
Monoisotopic Mass 278.03538
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
InChIKey PWOQRKCAHTVFLB-UHFFFAOYSA-N
SMILES O.ClCCN(CCCl)P1(=O)NCCCO1
Roles Classification
Biological Role(s): immunosuppressive agent
An agent that suppresses immune function by one of several mechanisms of action. Classical cytotoxic immunosuppressants act by inhibiting DNA synthesis. Others may act through activation of T-cells or by inhibiting the activation of helper cells. In addition, an immunosuppressive agent is a role played by a compound which is exhibited by a capability to diminish the extent and/or voracity of an immune response.
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.
carcinogenic agent
A role played by a chemical compound which is known to induce a process of carcinogenesis by corrupting normal cellular pathways, leading to the acquistion of tumoral capabilities.
Application(s): antineoplastic agent
A substance that inhibits or prevents the proliferation of neoplasms.
immunosuppressive agent
An agent that suppresses immune function by one of several mechanisms of action. Classical cytotoxic immunosuppressants act by inhibiting DNA synthesis. Others may act through activation of T-cells or by inhibiting the activation of helper cells. In addition, an immunosuppressive agent is a role played by a compound which is exhibited by a capability to diminish the extent and/or voracity of an immune response.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing cyclophosphamide hydrate (CHEBI:4026) has part cyclophosphamide (CHEBI:4027)
cyclophosphamide hydrate (CHEBI:4026) has role alkylating agent (CHEBI:22333)
cyclophosphamide hydrate (CHEBI:4026) has role antineoplastic agent (CHEBI:35610)
cyclophosphamide hydrate (CHEBI:4026) has role carcinogenic agent (CHEBI:50903)
cyclophosphamide hydrate (CHEBI:4026) has role immunosuppressive agent (CHEBI:35705)
cyclophosphamide hydrate (CHEBI:4026) is a hydrate (CHEBI:35505)
IUPAC Names
N,N-bis(2-chloroethyl)-1,3,2-oxazaphosphinan-2-amine 2-oxide hydrate
N,N-bis(2-chloroethyl)-1,3,2-oxazaphosphinan-2-amine 2-oxide—water (1/1)
INN Source
cyclophosphamide ChemIDplus
Synonyms Sources
(±)-2-(Bis(2-chloroethyl)amino)tetrahydro-2H-1,3,2-oxazaphosphorine 2-oxide monohydrate ChemIDplus
(Bis(chloro-2-ethyl)amino)-2-tetrahydro-3,4,5,6-oxazaphosphorine-1,3,2-oxide-2 monohydrate ChemIDplus
1-Bis(2-chloroethyl)amino-1-oxo-2-aza-5-oxaphosphoridine monohydrate ChemIDplus
2-(Bis(2-chloroethyl)amino)-1-oxa-3-aza-2-phosphocyclohexane 2-oxide monohydrate ChemIDplus
2-(Di(2-chloroethyl)amino)-1-oxa-3-aza-2-phosphacyclohexane-2-oxide monohydrate ChemIDplus
Bis(2-chloroethyl)phosphoramide cyclic propanolamide ester monohydrate ChemIDplus
Cyclophosphamide KEGG DRUG
Cyclophosphamide hydrate KEGG COMPOUND
Cyclophosphamide monohydrate ChemIDplus
N,N-Bis(2-chloroethyl)tetrahydro-2H-1,3,2-oxaphosphorin-2-amine, 2-oxide monohydrate ChemIDplus
N,N-Bis(beta-chloroethyl)-N',O-trimethylenephosphoric acid ester diamide monohydrate ChemIDplus
Manual Xrefs Databases
D00287 KEGG DRUG
DB00531 DrugBank
View more database links
Registry Numbers Types Sources
6055-19-2 CAS Registry Number ChemIDplus
6055-19-2 CAS Registry Number DrugBank
6055-19-2 CAS Registry Number KEGG DRUG
8167897 Beilstein Registry Number Beilstein
Last Modified
28 July 2014