CHEBI:80566 - Isophosphamide mustard

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ChEBI Name Isophosphamide mustard
ChEBI ID CHEBI:80566
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C4H11Cl2N2O2P
Net Charge 0
Average Mass 221.02200
Monoisotopic Mass 219.99352
InChI InChI=1S/C4H11Cl2N2O2P/c5-1-3-7-11(9,10)8-4-2-6/h1-4H2,(H3,7,8,9,10)
InChIKey BKCJZNIZRWYHBN-UHFFFAOYSA-N
SMILES OP(=O)(NCCCl)NCCCl
ChEBI Ontology
Outgoing Isophosphamide mustard (CHEBI:80566) is a phosphorodiamide (CHEBI:35467)
Manual Xrefs Databases
C16559 KEGG COMPOUND
D09364 KEGG DRUG
HMDB0060691 HMDB
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Registry Number Type Source
31645-39-3 CAS Registry Number KEGG COMPOUND