기본 정보
- CAS
49637-08-3- 표준 SMILES
C#CCN1CCC2=C(C1)c1c(OC(=O)CCCN3CCCCC3)cc(C(C)C(C)CCCCC)cc1OC2(C)C.Cl- InChIKey
KWXQFOPVLBPXHY-UHFFFAOYSA-N- 분자식
- C35H53ClN2O3
- 평균 분자량
- 585.3 g/mol
- 단동위원소 질량
- 584.37447124
이름 및 식별자
- 우선 이름
- Nabitan Hydrochloride
- IUPAC
- [5,5-dimethyl-8-(3-methyloctan-2-yl)-2-prop-2-ynyl-3,4-dihydro-1H-chromeno[4,3-c]pyridin-10-yl] 4-piperidin-1-ylbutanoate;hydrochloride
- 영어명
- 8-(1,2-dimethylheptyl)-1,3,4,5-tetrahydro-5,5-dimethyl-2-(2-propynyl)-2H-(1)benzopyrano(4,3-c)pyridin-10-yl ester, monohydrochloride
- 분자식
- C35H52N2O3.ClH
- 분자량
- 0
이름 및 동의어
NABITAN HYDROCHLORIDE49637-08-3Abbott 4056Nabitan HClNabitan hydrochloride [USAN]SP-106UNII-2F3L1A6VXENABUTAN HYDROCHLORIDE2F3L1A6VXESP 106Nabitan hydrochloride (USAN)1-Piperidinebutanoic acid, 8-(1,2-dimethylheptyl)-1,3,4,5-tetrahydro-5,5-dimethyl-2-(2-propynyl)-2H-(1)benzopyrano(4,3-c)pyridin-10-yl ester monohydrochloride-
이름 더 보기
A40656NabutamA-40656A 40656Abbott-406561-Piperidinebutanoic acid
8-(1,2-Dimethylheptyl)-1,3,4,5-tetrahydro-5,5-dimethyl-2-(2-propynyl)-2H-(1)benzopyrano(4,3-c)pyridin-10-yl 1-piperidinebutyrate monohydrochloride8-(1,2-Dimethylheptyl)-1,3,4,5-tetrahydro-5,5-dimethyl-2-(2-propynyl)-2H-[1]benzopyrano[4,3-c]pyridin-10-yl 1-piperidinebutyrate monohydrochlorideRefChem:164382NIB[5,5-dimethyl-8-(3-methyloctan-2-yl)-2-prop-2-ynyl-3,4-dihydro-1H-chromeno[4,3-c]pyridin-10-yl] 4-piperidin-1-ylbutanoate;hydrochloride8-(1,2-dimethylheptyl)-1,3,4,5-tetrahydro-5,5-dimethyl-2-(2-propynyl)-2H-(1)benzopyrano(4,3-c)pyridin-10-yl ester, monohydrochlorideNabutan hyrochlorideAbbott-4056
데이터베이스 식별자
- CAS
49637-08-3- PubChem CID
- 39502
- DTXSID
DTXSID20964312- ChEMBL
CHEMBL2103940- UNII
- 2F3L1A6VXE
물성
구조 계산 물성
- 극성 표면적
- 42 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 5
- 회전 가능 결합 수
- 13
- 무거운 원자 수
- 41
- 형식 전하
- 0
- 복잡도
- 911
화학 및 산업
응용 분야
용도Analgesic.
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