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CHEBI:9317 - Sufentanil citrate

Default Structure
ChEBI IDCHEBI:9317
ChEBI NameSufentanil citrate
Stars
Last Modified6 March 2017
DownloadsMolfile
FormulaC22H30N2O2S.C6H8O7
Net Charge0
Average Mass578.684
Monoisotopic Mass578.22980
SMILESCCC(=O)N(c1ccccc1)C1(COC)CCN(CCc2cccs2)CC1.O=C(O)CC(O)(CC(=O)O)C(=O)O
InChIInChI=1S/C22H30N2O2S.C6H8O7/c1-3-21(25)24(19-8-5-4-6-9-19)22(18-26-2)12-15-23(16-13-22)14-11-20-10-7-17-27-20;7-3(8)1-6(13,5(11)12)2-4(9)10/h4-10,17H,3,11-16,18H2,1-2H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)
InChIKeyOJCZPLDERGDQRJ-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
Sufentanil citrate (CHEBI:9317) is a anilide (CHEBI:13248)
Synonyms  Source
SufentaKEGG COMPOUND
Sufentanil citrateKEGG COMPOUND
Manual XrefsDatabases
D00845KEGG DRUG
Registry NumbersSources
CAS:60561-17-3KEGG COMPOUND