기본 정보
- CAS
214600-45-0- 표준 SMILES
COC(=O)c1ccc(O)c([C@H](CCN(C(C)C)C(C)C)c2ccccc2)c1.Cl- InChIKey
RILWVYLDCFYYGU-VEIFNGETSA-N- 분자식
- C23H32ClNO3
- 평균 분자량
- 406 g/mol
- 단동위원소 질량
- 405.2070716
이름 및 식별자
- 우선 이름
- 3-[(1R)-3-[Bis(1-methylethyl)amino]-1-phenylpropyl]-4-hydroxybenzoic acid methyl ester hydrochloride
- IUPAC
- methyl 3-[(1R)-3-[di(propan-2-yl)amino]-1-phenylpropyl]-4-hydroxybenzoate;hydrochloride
- 현지명
- 3-[(1R)-3-[비스(1-메틸에틸)아미노]-1-페닐프로필]-4-히드록시벤조산메틸에스테르염산염
- 영어명
- 3-[(1R)-3-[Bis(1-methylethyl)amino]-1-phenylpropyl]-4-hydroxybenzoic acid methyl ester hydrochloride
- 분자식
- C23H31NO3.HCl
- 분자량
- 405.96
이름 및 동의어
214600-45-03-[(1R)-3-[Bis(1-methylethyl)amino]-1-phenylpropyl]-4-hydroxybenzoic acid methyl ester hydrochloridemethyl 3-[(1R)-3-[di(propan-2-yl)amino]-1-phenylpropyl]-4-hydroxybenzoate;hydrochloride3-[(1R)-3-[Bis(1-methylethyl)amino]-1-phenylpropyl]-4-hydroxybenzoicacid methyl esterHydrochlorideSCHEMBL51789923-[(1R)-3-[bis(1-methylethyl)amino]-1-phenylpropyl]-4-hydroxy-Benzoic acid methyl ester (Hydrochloride) (1:1)AKOS025401848AC-26367DB-3244043-[(1R)-3-[bis(1-methylethyl)amino]-1-phenylpropyl]-4-hydroxy-benzoic acid methyl ester hydrochloride3-[(1R)-3-[비스(1-메틸에틸)아미노]-1-페닐프로필]-4-히드록시벤조산메틸에스테르염산염RILWVYLDCFYYGU-VEIFNGETSA-N
이름 더 보기
3-[(1R)-3-[Bis(1-methylethyl)amino]-1-phenylpropyl]-4-hydroxy-benzoic acid methyl ester HClBenzoic acid, 3-[(1R)-3-[bis(1-methylethyl)amino]-1-phenylpropyl]-4-hydroxy-, methyl ester, hydrochloride (1:1)
물성
구조 계산 물성
- 극성 표면적
- 49.8 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 4
- 회전 가능 결합 수
- 9
- 무거운 원자 수
- 28
- 형식 전하
- 0
- 복잡도
- 437
화학 및 산업
공급사6 곳
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