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CHEBI:756397 - orbofiban acetate

Default Structure
ChEBI IDCHEBI:756397
ChEBI Nameorbofiban acetate
Stars
Last Modified29 June 2026
SubmitterChEMBL
DownloadsMolfile
FormulaH2O.C17H23N5O4.C2H4O2.C17H23N5O4.C2H4O2.C17H23N5O4.C2H4O2.C17H23N5O4.C2H4O2
Net Charge0
Average Mass1703.831
Monoisotopic Mass1702.79510
SMILESCC(=O)O.CC(=O)O.CC(=O)O.CC(=O)O.CCOC(=O)CCNC(=O)N[C@H]1CCN(c2ccc(C(=N)N)cc2)C1=O.CCOC(=O)CCNC(=O)N[C@H]1CCN(c2ccc(C(=N)N)cc2)C1=O.CCOC(=O)CCNC(=O)N[C@H]1CCN(c2ccc(C(=N)N)cc2)C1=O.CCOC(=O)CCNC(=O)N[C@H]1CCN(c2ccc(C(=N)N)cc2)C1=O.O
InChIInChI=1S/4C17H23N5O4.4C2H4O2.H2O/c4*1-2-26-14(23)7-9-20-17(25)21-13-8-10-22(16(13)24)12-5-3-11(4-6-12)15(18)19;4*1-2(3)4;/h4*3-6,13H,2,7-10H2,1H3,(H3,18,19)(H2,20,21,25);4*1H3,(H,3,4);1H2/t4*13-;;;;;/m0000...../s1
InChIKeySVMJTTTTYFMATC-QSGPNNMYSA-N
ChEBI Ontology
Outgoing Relation(s)
orbofiban acetate (CHEBI:756397) is a pyrrolidines (CHEBI:38260)
Synonyms  Source
Orbofiban acetateChEMBL
Orbofiban acetate anhydrousChEMBL
SC-57099BChEMBL