Vibegron-[13C,d4]

General Information
Catalog: BLP-007597
Molecular Formula: C25[13C]H24D4N4O3
Molecular Weight: 449.55
Related CAS: 1190389-15-1 (unlabelled)
Description Vibegron is a selective Beta 3 Adrenergic Receptor Agonist and was developed by Kyorin Pharmaceutical for the treatment of OAB (Overactive Bladder). Now, Vibegron is in Phase 3 human clinical trials for the treatment of OAB. In Jan 2015, Vibegron was discontinued Phase-I for hypertension (Combination therapy) in USA. In Mar 2016, Vibegron licensed to Kissei Pharmaceutical in Japan.
Synonyms (6S)-N-(4-{[(2S,5R)-5-[(R)-hydroxy(phenyl)methyl]pyrrolidin-2-yl](13C)methyl}(2,3,5,6-D4)phenyl)-4-oxo-4H,6H,7H,8H-pyrrolo[1,2-a]pyrimidine-6-carboxamide
IUPAC Name (6S)-4-oxo-N-[2,3,5,6-tetradeuterio-4-[[(2S,5R)-5-[(R)-hydroxy(phenyl)methyl]pyrrolidin-2-yl](1-13C)methyl]phenyl]-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidine-6-carboxamide
Canonical SMILES C1CC(NC1CC2=CC=C(C=C2)NC(=O)C3CCC4=NC=CC(=O)N34)C(C5=CC=CC=C5)O
InChI InChI=1S/C26H28N4O3/c31-24-14-15-27-23-13-12-22(30(23)24)26(33)29-19-8-6-17(7-9-19)16-20-10-11-21(28-20)25(32)18-4-2-1-3-5-18/h1-9,14-15,20-22,25,28,32H,10-13,16H2,(H,29,33)/t20-,21+,22-,25+/m0/s1/i6D,7D,8D,9D,16+1
InChI Key DJXRIQMCROIRCZ-AXWQUOBRSA-N
Purity >98%

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