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CHEBI:31290 - Bisibuthiamine

ChEBI IDCHEBI:31290
ChEBI NameBisibuthiamine
Stars
Last Modified22 February 2017
DownloadsMolfile
FormulaC32H46N8O6S2
Net Charge0
Average Mass702.904
Monoisotopic Mass702.29817
SMILESC/C(=C(/CCOC(=O)C(C)C)SS/C(CCOC(=O)C(C)C)=C(\C)N(C=O)Cc1cnc(C)nc1N)N(C=O)Cc1cnc(C)nc1N
InChIInChI=1S/C32H46N8O6S2/c1-19(2)31(43)45-11-9-27(21(5)39(17-41)15-25-13-35-23(7)37-29(25)33)47-48-28(10-12-46-32(44)20(3)4)22(6)40(18-42)16-26-14-36-24(8)38-30(26)34/h13-14,17-20H,9-12,15-16H2,1-8H3,(H2,33,35,37)(H2,34,36,38)/b27-21+,28-22+
InChIKeyCKHJPWQVLKHBIH-GPAWKIAZSA-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)
Bisibuthiamine (CHEBI:31290) is a aminopyrimidine (CHEBI:38338)
Synonyms  Source
BisibuthiamineKEGG COMPOUND
SulbutiamineKEGG COMPOUND
youvitanDrugCentral
bisibutiamineDrugCentral
sulbuthiamineDrugCentral
sulbutiaminDrugCentral
Manual XrefsDatabases
C12750KEGG COMPOUND
D01319KEGG DRUG
2494DrugCentral
Registry NumbersSources
CAS:3286-46-2KEGG COMPOUND