Ubrogepant Intermediate CAS#: 1375541-21-1

Product Name:

Ubrogepant Intermediate

Synonyms:

(S)-2'-oxo-1',2',5,7-tetrahydrospiro[cyclopenta[b]pyridine-6,3'-pyrrolo[2,3-b]pyridine]-3-carboxylic acid
(3'S)-1',2',5,7-Tetrahydro-2'-oxospiro[6H-cyclopenta[b]pyridine-6,3'-[3H]pyrrolo[2,3-b]pyridine]-3-carboxylic acid
Ubrogepant Intermediate
(3S)-2-oxospiro[1H-pyrrolo[2,3-b]pyridine-3,6'-5,7-dihydrocyclopenta[b]pyridine]-3'-carboxylic acid
Spiro[6H-cyclopenta[b]pyridine-6,3'-[3H]pyrrolo[2,3-b]pyridine]-3-carboxylic acid, 1',2',5,7-tetrahydro-2'-oxo-, (3'S)-
Acid intermediate
(S)-2'-oxo-1',2',5,7-tetrahydrospiro[cyclopenta[b]pyridine-6...
(6S)-2'-oxo-1',2',5,7-tetrahydrospiro[cyclopenta[b]pyridine-6,3'-pyrrolo[2,3-b]pyridine]-3-carboxylic acid

CAS:

1375541-21-1

MF:

C15H11N3O3

MW:

281.27

Mol File:

1375541-21-1.mol

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Boiling point:: 566.1±50.0 °C(Predicted)
Density: 1.57±0.1 g/cm3(Predicted)
pka: 2.36±0.20(Predicted)
InChI: InChI=1S/C15H11N3O3/c19-13(20)9-4-8-5-15(6-11(8)17-7-9)10-2-1-3-16-12(10)18-14(15)21/h1-4,7H,5-6H2,(H,19,20)(H,16,18,21)/t15-/m0/s1
InChIKey: JZRARRAPRCNVSS-HNNXBMFYSA-N
SMILES: C12C[C@@]3(C(=O)NC4=NC=CC=C43)CC1=CC(C(O)=O)=CN=2

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This is ubrogepant's intermediate, used as chemical references/standards.

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