기본 정보
- CAS
152231-27-1- 표준 SMILES
COC(=O)[C@@H]1[C@@H]2[C@H](OC)C[C@H](C[C@H]1OC(=O)c1ccccc1)N2C- InChIKey
VHNFNHMRSQZOLD-OTJKEOIZSA-N- 분자식
- C18H23NO5
- 평균 분자량
- 333.4 g/mol
- 단동위원소 질량
- 333.15762283
이름 및 식별자
- 우선 이름
- Methyl (1R,2R,3R,5S,7R)-3-(benzoyloxy)-7-methoxy-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate
- IUPAC
- methyl (1R,2R,3R,5S,7R)-3-benzoyloxy-7-methoxy-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate
- 영어명
- methyl 3-benzoyloxy-7-methoxy-8-methyl-8-azabicyclo(3.2.1)octane-2-carboxylate
- 분자식
- C18H23NO5
- 분자량
- 333.38
이름 및 동의어
152231-27-1DTXSID80934450(+-)-7alpha-MethoxypseudococaineMETHYL (1R,2R,3R,5S,7R)-3-(BENZOYLOXY)-7-METHOXY-8-METHYL-8-AZABICYCLO[3.2.1]OCTANE-2-CARBOXYLATEmethyl (1R,2R,3R,5S,7R)-3-benzoyloxy-7-methoxy-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylateMethyl 3-(benzoyloxy)-7-methoxy-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate8-Azabicyclo(3.2.1)octane-2-carboxylic acid, 3-(benzoyloxy)-7-methoxy-8-methyl-, methyl ester, (1R,2R,3R,5S,7R)-rel-8-Azabicyclo(3.2.1)octane-2-carboxylic acid, 3-(benzoyloxy)-7-methoxy-8-methyl-, methyl ester, (2-endo,3-exo,7-endo)-(+-)-methyl 3-benzoyloxy-7-methoxy-8-methyl-8-azabicyclo(3.2.1)octane-2-carboxylate8-Azabicyclo[3.2.1]octane-2-carboxylic acid, 3-(benzoyloxy)-7-methoxy-8-methyl-, methyl ester, (1R,2R,3R,5S,7R)-rel-
데이터베이스 식별자
- CAS
152231-27-1- PubChem CID
- 182569
- DTXSID
DTXSID80934450- Nikkaji
- J1.132.842C
물성
구조 계산 물성
- XLogP
- 1.9
- 극성 표면적
- 65.1 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 6
- 회전 가능 결합 수
- 6
- 무거운 원자 수
- 24
- 형식 전하
- 0
- 복잡도
- 476
물리화학적 성질
- 끓는 점
- 418.6 · 418.6±45.0 °C(Predicted)
- 밀도
- 1.23 · 1.23±0.1 g/cm3(Predicted)
- 산도 계수 (pKa)
- 7.66 · 7.66±0.70(Predicted)
화학 및 산업
공급사1 곳
CHEMICAL LAND21[email protected]
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