기본 정보
- CAS
36622-29-4- 표준 SMILES
COc1ccc(CCN(C)CCC[C@@](C#N)(c2ccc(OC)c(OC)c2)C(C)C)cc1OC- InChIKey
SGTNSNPWRIOYBX-MHZLTWQESA-N- 분자식
- C27H38N2O4
- 평균 분자량
- 454.6 g/mol
- 단동위원소 질량
- 454.2831577
개요
(S)-verapamil is a 2-(3,4-dimethoxyphenyl)-5-{[2-(3,4-dimethoxyphenyl)ethyl](methyl)amino}-2-(propan-2-yl)pentanenitrile that has S configuration. It is a conjugate base of a (S)-verapamil(1+). It is an enantiomer of a dexverapamil.
이름 및 식별자
- 우선 이름
- (S)-Verapamil
- IUPAC
- (2S)-2-(3,4-dimethoxyphenyl)-5-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-2-propan-2-ylpentanenitrile
- 영어명
- (-)-3-(3,4-dimethoxyphenyl)-6-[(5,6-dimethoxyphenethyl)methylamino]hexane-3-carbonitrile
- 분자식
- C27H38N2O4
- 분자량
- 454.6
이름 및 동의어
(S)-VERAPAMIL(S) Verapamil(2S)-2-(3,4-dimethoxyphenyl)-5-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-2-propan-2-ylpentanenitrileCHEBI:77736(2S)-2-(3,4-dimethoxyphenyl)-5-(2-(3,4-dimethoxyphenyl)ethyl-methylamino)-2-propan-2-ylpentanenitrileRefChem:1051214(-)-verapamil36622-29-4(S)-(-)-verapamil(-)-(S)-verapamil(S)-5-((3,4-dimethoxyphenethyl)(methyl)amino)-2-(3,4-dimethoxyphenyl)-2-isopropylpentanenitrileCHEMBL36148
이름 더 보기
l-VerapamilS-Verapamil HCIEinecs 253-133-3l-a-Isopropyl-a-[(N-methyl-N-homoveratryl)-g-aminopropyl]-3,4-dimethoxyphenylacetonitrile(S)-5-[(3,4-Dimethoxyphenethyl)methylamino]-2-(3,4-dimethoxyphenyl)-2-isopropylvaleronitrile[S,(-)]-2-(3,4-Dimethoxyphenyl)-2-isopropyl-5-(N-methyl-3,4-dimethoxyphenethylamino)valeronitrile(-)-(S)-5-[N-[2-(3,4-Dimethoxyphenyl)ethyl]-N-methylamino]-2-(3,4-dimethoxyphenyl)-2-isopropylpentanenitrile(S)-α-[3-[[2-(3,4-Dimethoxyphenyl)ethyl]methylamino]propyl]-3,4-dimethoxy-α-(1-methylethyl)benzeneacetonitrile
물성
구조 계산 물성
- XLogP
- 3.8
- 극성 표면적
- 64 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 6
- 회전 가능 결합 수
- 13
- 무거운 원자 수
- 33
- 형식 전하
- 0
- 복잡도
- 606
물리화학적 성질
- 녹는점
- 126 · 126-129°C
- 끓는 점
- 586.1 · 586.1±50.0 °C(Predicted)
- 밀도
- 1.058 · 1.058±0.06 g/cm3(Predicted)
- 저장 조건
- -20 °C · -20°C Freezer
- 산도 계수 (pKa)
- 8.97 · 8.97±0.50(Predicted)
화학적 성질
White Solid
화학 및 산업
응용 분야
용도Both isomers inhibit the p-glycoprotein efflux pump in multidrug resistant tumor cells
공급사10 곳
湖北瑞玛标物科技有限公司15787879035 15787875101 · [email protected]
南京望知星医药科技有限公司18569809817 · [email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
凯试(上海)科技有限公司021-50135380 · [email protected]
Clearsynth Labs Limited+91-22-26355700 · [email protected]
深圳振强药物研发有限公司+86-0755-66853366 +86-13670046396 · [email protected]
上海语锌医药科技有限公司15921286451; 15921286451 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
广州奥司汀生物技术有限公司15918640830 13268843209 · [email protected]
山东子易医药有限公司13173053288 · [email protected]
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