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CHEBI:35016 - Tiapamil

ChEBI IDCHEBI:35016
ChEBI NameTiapamil
Stars
Last Modified28 July 2014
DownloadsMolfile
FormulaC26H37NO8S2
Net Charge0
Average Mass555.715
Monoisotopic Mass555.19606
SMILESCOc1ccc(CCN(C)CCCC2(c3ccc(OC)c(OC)c3)S(=O)(=O)CCCS2(=O)=O)cc1OC
InChIInChI=1S/C26H37NO8S2/c1-27(15-12-20-8-10-22(32-2)24(18-20)34-4)14-6-13-26(36(28,29)16-7-17-37(26,30)31)21-9-11-23(33-3)25(19-21)35-5/h8-11,18-19H,6-7,12-17H2,1-5H3
InChIKeyZROUQTNYPCANTN-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Tiapamil (CHEBI:35016) is a benzenes (CHEBI:22712)
Tiapamil (CHEBI:35016) is a organic amino compound (CHEBI:50047)
Synonym  Source
TiapamilKEGG COMPOUND
Manual XrefsDatabases
C13765KEGG COMPOUND
Registry NumbersSources
CAS:57010-31-8KEGG COMPOUND