CHEBI:175368 - 4'-Hydroxyphenyl Carvedilol

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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 4'-Hydroxyphenyl Carvedilol
ChEBI ID CHEBI:175368
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
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Formula C24H26N2O5
Net Charge 0
Average Mass 422.481
Monoisotopic Mass 422.18417
InChI InChI=1S/C24H26N2O5/c1-29-23-13-16(27)9-10-21(23)30-12-11-25-14-17(28)15-31-22-8-4-7-20-24(22)18-5-2-3-6-19(18)26-20/h2-10,13,17,25-28H,11-12,14-15H2,1H3
InChIKey ZCJHEORDHXCJNB-UHFFFAOYSA-N
SMILES O(C=1C=2C=3C(NC2C=CC1)=CC=CC3)CC(O)CNCCOC4=C(OC)C=C(O)C=C4
ChEBI Ontology
Outgoing 4'-Hydroxyphenyl Carvedilol (CHEBI:175368) is a carbazoles (CHEBI:48513)
IUPAC Name
4-[2-[[3-(9H-carbazol-4-yloxy)-2-hydroxypropyl]amino]ethoxy]-3-methoxyphenol
Manual Xrefs Databases
3765669 ChemSpider
HMDB0060773 HMDB
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Registry Number Type Source
142227-49-4 CAS Registry Number ChemIDplus