(S)-1'-(tert-butyl)-2'-oxo-1',2',5,7-tetrahydrospiro[cyclopenta[b]pyridine-6,3'-pyrrolo[2,3-b]pyridine]-3-carboxylic acid
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기본 정보
- CAS
1455358-16-3- 표준 SMILES
CC(C)(C)N1C(=O)[C@]2(Cc3cc(C(=O)O)cnc3C2)c2cccnc21- InChIKey
SNCFRKKJQVCWMN-IBGZPJMESA-N- 분자식
- C19H19N3O3
- 평균 분자량
- 337.37 g/mol
이름 및 식별자
- 우선 이름
- (S)-1'-(tert-butyl)-2'-oxo-1',2',5,7-tetrahydrospiro[cyclopenta[b]pyridine-6,3'-pyrrolo[2,3-b]pyridine]-3-carboxylic acid
- 영어명
- (S)-1'-(tert-butyl)-2'-oxo-1',2',5,7-tetrahydrospiro[cyclopenta[b]pyridine-6,3'-pyrrolo[2,3-b]pyridine]-3-carboxylic acid
- 분자식
- C19H19N3O3
- 분자량
- 337.37
이름 및 동의어
Atogepant Impurity 32(2-((1-(tert-butyl)-2-hydroxy-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl)-5-chloropyridin-3-yl)methanediol(S)-1'-(tert-butyl)-2'-oxo-1',2',5,7-tetrahydrospiro[cyclopenta[b]pyridine-6,3'-pyrrolo[2,3-b]pyridine]-3-carboxylic acid(S)-1'-tert-butyl-1',2',5,7-tetrahydro-2'-oxospiro[6H-cyclopent[B]pyridine-6,3'-[3H]pyrrolo[2,3-b]pyridine]-3-carboxylic acid(3'S)-1'-(1,1-Dimethylethyl)-1',2',5,7-tetrahydro-2'-oxospiro[6H-cyclopenta[b]pyridine-6,3'-[3H]pyrrolo[2,3-b]pyridine]-3-carboxylic acidSpiro[6H-cyclopenta[b]pyridine-6,3'-[3H]pyrrolo[2,3-b]pyridine]-3-carboxylic acid, 1'-(1,1-dimethylethyl)-1',2',5,7-tetrahydro-2'-oxo-, (3'S)-
데이터베이스 식별자
- CAS
1455358-16-3- PubChem CID
- 89821793
- UNII
- JVE46PM5AS
- EC Number
- 881-259-4
물성
물리화학적 성질
- InChI
- InChI=1S/C19H19N3O3/c1-18(2,3)22-15-13(5-4-6-20-15)19(17(22)25)8-11-7-12(16(23)24)10-21-14(11)9-19/h4-7,10H,8-9H2,1-3H3,(H,23,24)/t19-/m0/s1
- InChIKey
- SNCFRKKJQVCWMN-IBGZPJMESA-N
- SMILES
- C12C[C@@]3(C(=O)N(C(C)(C)C)C4=NC=CC=C43)CC1=CC(C(O)=O)=CN=2
화학 및 산업
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