CHEBI:169626 - 8-Hydroxydesmethylclomipramine

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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-Hydroxydesmethylclomipramine
ChEBI ID CHEBI:169626
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C18H21ClN2O
Net Charge 0
Average Mass 316.830
Monoisotopic Mass 316.13424
InChI InChI=1S/C18H21ClN2O/c1-20-9-2-10-21-17-8-7-16(22)11-14(17)4-3-13-5-6-15(19)12-18(13)21/h5-8,11-12,20,22H,2-4,9-10H2,1H3
InChIKey MRLCQGACIDFFSH-UHFFFAOYSA-N
SMILES ClC1=CC=2N(C3=C(CCC2C=C1)C=C(O)C=C3)CCCNC
Metabolite of Species Details
Malus domestica (NCBI:txid3750) Found in exocarp (BTO:0000733). of strain Malus x domestica Borkh. cv. Ruixue See: MetaboLights Study
ChEBI Ontology
Outgoing 8-Hydroxydesmethylclomipramine (CHEBI:169626) is a dibenzooxazepine (CHEBI:53802)
IUPAC Name
9-chloro-11-[3-(methylamino)propyl]-5,6-dihydrobenzo[b][1]benzazepin-3-ol
Manual Xrefs Databases
8194268 ChemSpider
HMDB0060803 HMDB
View more database links
Registry Number Type Source
104061-28-1 CAS Registry Number ChemIDplus