기본 정보
- CAS
129927-33-9- 표준 SMILES
CCN(CC)CC#CC(C)(C)OC(=O)C(O)(c1ccccc1)C1CCCCC1.Cl- InChIKey
JQCLFZVNMLALLU-UHFFFAOYSA-N- 분자식
- C24H36ClNO3
- 평균 분자량
- 422 g/mol
- 단동위원소 질량
- 421.2383717
이름 및 식별자
- 우선 이름
- Benzeneacetic acid, alpha-cyclohexyl-alpha-hydroxy-, 4-(diethylamino)-1,1-dimethyl-2-butyn-1-yl ester, hydrochloride (1:1)
- IUPAC
- [5-(diethylamino)-2-methylpent-3-yn-2-yl] 2-cyclohexyl-2-hydroxy-2-phenylacetate;hydrochloride
이름 및 동의어
Temiverine hydrochloride129927-33-924II7HX270RefChem:1078335Benzeneacetic acid, alpha-cyclohexyl-alpha-hydroxy-, 4-(diethylamino)-1,1-dimethyl-2-butyn-1-yl ester, hydrochloride (1:1)136529-33-4(+-)-4-Diethylamino-1,1-dimethylbut-2-yn-1-yl 2-cyclohexyl-2-hydroxy-2 -phenylacetate HCl H2O[5-(diethylamino)-2-methylpent-3-yn-2-yl] 2-cyclohexyl-2-hydroxy-2-phenylacetate;hydrochloride5-(Diethylamino)-2-methylpent-3-yn-2-yl 2-cyclohexyl-2-hydroxy-2-phenylacetate hydrochlorideTemiverine HClCCRIS 7921UNII-24II7HX270
이름 더 보기
129927-33-9 (HCl)(+-)-4-Diethylamino-1,1-dimethylbut-2-yn-1-yl 2-cyclohexyl-2-hydroxy-2-phenylacetate HCl H2O(+-)-4-Diethylamino-1,1-dimethylbut-2-yn-1-yl-2-cyclohexyl-2-hydroxy-2-phenylacetate monohydrochloride monohydrateBenzeneacetic acid, alpha-cyclohexyl-alpha-hydroxy-, (4-diethylamino)-1,1-dimethyl-2-buteynyl ester, hydrochlorideSCHEMBL332032orb1708387DTXSID90926528HY-U00055
데이터베이스 식별자
- CAS
129927-33-9
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
- 29
- 형식 전하
- 0
- 복잡도
- 557
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