CHEBI:1887 - 4-Ketocyclophosphamide

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ChEBI Name 4-Ketocyclophosphamide
ChEBI ID CHEBI:1887
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C7H13Cl2N2O3P
Net Charge 0
Average Mass 275.070
Monoisotopic Mass 274.00408
InChI InChI=1S/C7H13Cl2N2O3P/c8-2-4-11(5-3-9)15(13)10-7(12)1-6-14-15/h1-6H2,(H,10,12,13)
InChIKey VBMZHOCORXMDJU-UHFFFAOYSA-N
SMILES ClCCN(CCCl)P1(=O)NC(=O)CCO1
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 )
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ChEBI Ontology
Outgoing 4-Ketocyclophosphamide (CHEBI:1887) is a nitrogen mustard (CHEBI:37598)
Synonym Source
4-Ketocyclophosphamide KEGG COMPOUND
Manual Xrefs Databases
C07644 KEGG COMPOUND
HMDB0060686 HMDB
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Registry Number Type Source
27046-19-1 CAS Registry Number KEGG COMPOUND
Last Modified
28 July 2014