CHEBI:8482 - Propantheline bromide

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name Propantheline bromide
ChEBI ID CHEBI:8482
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formulae C23H30BrNO3
C23H30NO3.Br
Net Charge 0
Average Mass 448.394
Monoisotopic Mass 447.14091
InChI InChI=1S/C23H30NO3.BrH/c1-16(2)24(5,17(3)4)14-15-26-23(25)22-18-10-6-8-12-20(18)27-21-13-9-7-11-19(21)22;/h6-13,16-17,22H,14-15H2,1-5H3;1H/q+1;/p-1
InChIKey XLBIBBZXLMYSFF-UHFFFAOYSA-M
SMILES [Br-].C1=CC=C2C(=C1)C(C=3C(O2)=CC=CC3)C(OCC[N+](C)(C(C)C)C(C)C)=O
ChEBI Ontology
Outgoing Propantheline bromide (CHEBI:8482) is a xanthenes (CHEBI:38835)
Synonyms Sources
Pro-Banthine (TN) KEGG COMPOUND
Probanthine KEGG COMPOUND
Propantheline bromide KEGG COMPOUND
Manual Xref Database
D00481 KEGG DRUG
View more database links
Registry Number Type Source
50-34-0 CAS Registry Number KEGG COMPOUND
Last Modified
06 March 2017