(3R,11bR)-1,3,4,6,7,11b-Hexahydro-9,10-dimethoxy-3-(2-methylpropyl)-2H-benzo(a)quinolizin-2-one
기본 정보
- CAS
1977511-05-9- 표준 SMILES
COc1cc2c(cc1OC)[C@H]1CC(=O)[C@H](CC(C)C)CN1CC2- InChIKey
MKJIEFSOBYUXJB-GDBMZVCRSA-N- 분자식
- C19H27NO3
- 평균 분자량
- 317.4 g/mol
개요
(3R,11bR)-9,10-dimethoxy-3-isobutyl-1,3,4,6,7,11b-hexahydro-2H-pyrido[2,1-a]isoquinolin-2-one is a 9,10-dimethoxy-3-isobutyl-1,3,4,6,7,11b-hexahydro-2H-pyrido[2,1-a]isoquinolin-2-one in which both stereocentres have R configuration. It is an enantiomer of a (3S,11bS)-9,10-dimethoxy-3-isobutyl-1,3,4,6,7,11b-hexahydro-2H-pyrido[2,1-a]isoquinolin-2-one.
이름 및 식별자
- 우선 이름
- (3R,11bR)-1,3,4,6,7,11b-Hexahydro-9,10-dimethoxy-3-(2-methylpropyl)-2H-benzo(a)quinolizin-2-one
- IUPAC
- (3R,11bR)-9,10-dimethoxy-3-(2-methylpropyl)-1,3,4,6,7,11b-hexahydrobenzo[a]quinolizin-2-one
- 영어명
- (+)-Tetrabenazine D6
- 분자식
- C19H27NO3
- 분자량
- 317.43
이름 및 동의어
(+)-Tetrabenazine1026016-83-0(3R,11Br)-TetrabenazineTetrabenazine, (+)-(3R,11bR)-Tbz69ENL3U6BFDTXSID101117156(3R,11bR)-1,3,4,6,7,11b-Hexahydro-9,10-dimethoxy-3-(2-methylpropyl)-2H-benzo(a)quinolizin-2-one2H-Benzo(a)quinolizin-2-one, 1,3,4,6,7,11b-hexahydro-9,10-dimethoxy-3-(2-methylpropyl)-, (3R,11bR)-(3R,11bR)-1,3,4,6,7,11b-Hexahydro-9,10-dimethoxy-3-(2-methylpropyl)-2H-benzo[a]quinolizin-2-oneTetrabenazine R,R-RefChem:1050259
이름 더 보기
(+)-TETRABENAZINE D6[2H6]-(+)-Tetrabenazine
DTXCID501548729Tetrabenazine (+)-(3R,11bR)-3-isobutyl-9,10-dimethoxy-3,4,6,7-tetrahydro-1H-pyrido[2,1-a]isoquinolin-2(11bH)-one(+)-TbzTetrabenazine R,R-form [MI]MFCD08461052CHEMBL61636(3R,11bR)-9,10-dimethoxy-3-(2-methylpropyl)-1,3,4,6,7,11b-hexahydrobenzo[a]quinolizin-2-one
데이터베이스 식별자
- CAS
물성
구조 계산 물성
- XLogP
- 2.9
- 극성 표면적
- 38.8 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 4
- 회전 가능 결합 수
- 4
- 무거운 원자 수
- 23
- 형식 전하
- 0
- 복잡도
- 425
실험 및 물리화학적 성질
LogP2.99
관련 반응
0건
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