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Details

Stereochemistry ABSOLUTE
Molecular Formula C15H11N3O3
Molecular Weight 281.2661
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2'-Oxo-1',2',5,7-tetrahydrospiro[cyclopenta[b]pyridine-6,3'-pyrrolo[2,3-b]pyridine]-3-carboxylicacid, (S)-

SMILES

OC(=O)C1=CN=C2C[C@]3(CC2=C1)C(=O)NC4=NC=CC=C34

InChI

InChIKey=JZRARRAPRCNVSS-HNNXBMFYSA-N
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

HIDE SMILES / InChI

Molecular Formula C15H11N3O3
Molecular Weight 281.2661
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 19:57:44 GMT 2023
Edited
by admin
on Sat Dec 16 19:57:44 GMT 2023
Record UNII
VFK55SR7D7
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2'-Oxo-1',2',5,7-tetrahydrospiro[cyclopenta[b]pyridine-6,3'-pyrrolo[2,3-b]pyridine]-3-carboxylicacid, (S)-
Systematic Name English
(3′S)-1′,2′,5,7-Tetrahydro-2′-oxospiro[6H-cyclopenta[b]pyridine-6,3′-[3H]pyrrolo[2,3-b]pyridine]-3-carboxylic acid
Systematic Name English
Ubrogepant Intermediate
Common Name English
(3S)-2-Oxospiro[1H-pyrrolo[2,3-b]pyridine-3,6′-5,7-dihydrocyclopenta[b]pyridine]-3′-carboxylic acid
Systematic Name English
(S)-2'-Oxo-1',2',5,7-tetrahydrospiro[cyclopenta[b]pyridine-6,3'-pyrrolo[2,3-b]pyridine]-3-carboxylic acid
Systematic Name English
Code System Code Type Description
CAS
1375541-21-1
Created by admin on Sat Dec 16 19:57:44 GMT 2023 , Edited by admin on Sat Dec 16 19:57:44 GMT 2023
PRIMARY
PUBCHEM
68746980
Created by admin on Sat Dec 16 19:57:44 GMT 2023 , Edited by admin on Sat Dec 16 19:57:44 GMT 2023
PRIMARY
FDA UNII
VFK55SR7D7
Created by admin on Sat Dec 16 19:57:44 GMT 2023 , Edited by admin on Sat Dec 16 19:57:44 GMT 2023
PRIMARY