CHEBI:177403 - 8-Hydroxyclomipramine

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name 8-Hydroxyclomipramine
ChEBI ID CHEBI:177403
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C19H23ClN2O
Net Charge 0
Average Mass 330.860
Monoisotopic Mass 330.14989
InChI InChI=1S/C19H23ClN2O/c1-21(2)10-3-11-22-18-9-8-17(23)12-15(18)5-4-14-6-7-16(20)13-19(14)22/h6-9,12-13,23H,3-5,10-11H2,1-2H3
InChIKey PVKACZKLKCTAHR-UHFFFAOYSA-N
SMILES ClC1=CC=2N(CCCN(C)C)C3=C(CCC2C=C1)C=C(O)C=C3
Metabolite of Species Details
Sus scrofa (NCBI:txid9823) Found in sausage (ENVO:00002166). See: MetaboLights Study
ChEBI Ontology
Outgoing 8-Hydroxyclomipramine (CHEBI:177403) is a dibenzooxazepine (CHEBI:53802)
IUPAC Name
9-chloro-11-[3-(dimethylamino)propyl]-5,6-dihydrobenzo[b][1]benzazepin-3-ol
Manual Xrefs Databases
9898948 ChemSpider
HMDB0060802 HMDB
View more database links
Registry Number Type Source
61523-80-6 CAS Registry Number ChemIDplus