기본 정보
- CAS
130342-81-3- 표준 SMILES
COC(=O)[C@H]1[C@@H](c2ccc(C)cc2)C[C@@H]2CC[C@H]1N2C- InChIKey
MMKZDDDDODERSJ-JJXSEGSLSA-N- 분자식
- C17H23NO2
- 평균 분자량
- 273.37 g/mol
- 단동위원소 질량
- 273.17287898
개요
RTI-32 is an organic molecular entity. It has a role as a dopamine uptake inhibitor.
이름 및 식별자
- 우선 이름
- Rti 32
- IUPAC
- methyl (1R,2S,3S,5S)-8-methyl-3-(4-methylphenyl)-8-azabicyclo[3.2.1]octane-2-carboxylate
- 영어명
- RTI-COC 32
- 분자식
- C17H23NO2
- 분자량
- 273.37
이름 및 동의어
Rti 32130342-81-3Rti-coc 32Rti-coc-328-Methyl-3-(4-methylphenyl)-8-azabicyclo(3.2.1)octane-2-carboxylateRefChem:180111METHYL (1R,2S,3S,5S)-8-METHYL-3-(4-METHYLPHENYL)-8-AZABICYCLO[3.2.1]OCTANE-2-CARBOXYLATERTI-32SCHEMBL5000871CHEMBL1947089DTXSID70926687CHEBI:233984
이름 더 보기
(1β,5β)-3β-(4-Methylphenyl)-8-methyl-8-azabicyclo[3.2.1]octane-2β-carboxylic acid methyl ester(1R,2S,3S,5S)-3-(4-Methylphenyl)-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylic acid methyl ester8-Azabicyclo[3.2.1]octane-2-carboxylic acid, 8-methyl-3-(4-methylphenyl)-, methyl ester, (1R,2S,3S,5S)-
MMKZDDDDODERSJ-JJXSEGSLSA-NMethyl (1R-(exo,exo))-8-methyl-3-(4-methylphenyl)-8-azabicyclo(3.2.1)octane-2-carboxylateQ7277835Methyl (1R,5S)-3beta-(p-tolyl)tropane-2beta-carboxylatemethyl (1R,2S,3S,5S)-8-methyl-3-(p-tolyl)-8-azabicyclo[3.2.1]octane-2-carboxylate[1R-(exo,exo)]-8-Methyl-3-(4-methylphenyl)-8-azabicyclo[3.2.1]octane-2-carboxylic acid methyl ester8-Azabicyclo(3.2.1)octane-2-carboxylic acid, 8-methyl-3-(4-methylphenyl)-, methyl ester, (1R-(exo,exo))-
데이터베이스 식별자
- CAS
130342-81-3- PubChem CID
- 125416
- DTXSID
DTXSID70926687- ChEMBL
CHEMBL1947089- ChEBI
CHEBI:233984- Nikkaji
- J328.921D、J424.760D
물성
구조 계산 물성
- XLogP
- 3
- 극성 표면적
- 29.5 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 3
- 회전 가능 결합 수
- 3
- 무거운 원자 수
- 20
- 형식 전하
- 0
- 복잡도
- 362
물리화학적 성질
- 끓는 점
- 368.7 · 368.7±42.0 °C(Predicted)
- 밀도
- 1.084 · 1.084±0.06 g/cm3(Predicted)
- 용해도
- soluble in Dichloromethane; Methanol
- 산도 계수 (pKa)
- 10.01 · 10.01±0.60(Predicted)
- 물리적 상태
- 기름
- 색상
- Very viscous yellow
화학 및 산업
공급사2 곳
无锡捷化医药科技有限公司83588313 18800520310 · [email protected]
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