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5'-Hydroxyphenyl Carvedilol-[d5]

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General Information
Catalog: BLP-002998
CAS: 1189704-21-9
Molecular Formula: C24H21D5N2O5
Molecular Weight: 427.50

Chemical Structure

Description	5'-Hydroxyphenyl Carvedilol-[d5] is the labelled analogue of 5'-Hydroxyphenyl Carvedilol, which is a metabolite of Carvedilol. Carvedilol is used in the treatment of hypertension.
Synonyms	5'-Hydroxyphenyl Carvedilol D5; 3-[2-[[3-(9H-Carbazol-4-yloxy)-2-hydroxypropyl-d5]amino]ethoxy]-4-methoxy-phenol; 5-Hydroxycarvedilol-d5
IUPAC Name	3-[2-[[3-(9H-carbazol-4-yloxy)-1,1,2,3,3-pentadeuterio-2-hydroxypropyl]amino]ethoxy]-4-methoxyphenol
Related CAS	142227-51-8 (unlabelled)
Canonical SMILES	COC1=C(C=C(C=C1)O)OCCNCC(COC2=CC=CC3=C2C4=CC=CC=C4N3)O
InChI	InChI=1S/C24H26N2O5/c1-29-21-10-9-16(27)13-23(21)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/i14D2,15D2,17D
InChI Key	PVUVZUBTCLBJMT-SUPLBRQZSA-N
Melting Point	> 182 °C (dec.)
Purity	95%; ≥ 98% atom D
Solubility	Soluble in DMF, DMSO
Appearance	Tan Solid
Storage	-20 °C