기본 정보
- CAS
119009-45-9- 표준 SMILES
COC(=O)C1=C(C)NC(C)=C(C(=O)O[C@H]2CCCN(Cc3ccccc3)C2)[C@@H]1c1cccc([N+](=O)[O-])c1- InChIKey
QZVNQOLPLYWLHQ-JYFHCDHNSA-N- 분자식
- C28H31N3O6
- 평균 분자량
- 505.6 g/mol
- 단동위원소 질량
- 505.22128572
이름 및 식별자
- 우선 이름
- (3S,4'R)-Benidipine HCl
- IUPAC
- 5-O-[(3S)-1-benzylpiperidin-3-yl] 3-O-methyl (4R)-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate
- 영어명
- benidipine
- 분자식
- C28H31N3O6
- 분자량
- 505.56
이름 및 동의어
119009-45-9(3S,4'R)-Benidipine HClBenidipine Impurity T5-O-[(3S)-1-Benzylpiperidin-3-yl] 3-O-methyl (4R)-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate(R)-3-((S)-1-benzylpiperidin-3-yl) 5-methyl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate(3S,4'R)-BenidipineFW2Y4NFS5EBenidipine, (3S,4'R)-3,5-Pyridinedicarboxylic acid, 1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)-, methyl 1-(phenylmethyl)-3-piperidinyl ester, [S-(R*,S*)]-3,5-Pyridinedicarboxylic acid, 1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)-, 3-methyl 5-[(3S)-1-(phenylmethyl)-3-piperidinyl] ester, (4R)3,5-Pyridinedicarboxylic acid, 1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)-, methyl (3S)-1-(phenylmethyl)-3-piperidinyl ester, (4R)3,5-Pyridinedicarboxylic acid, 1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)-, methyl 1-(phenylmethyl)-3-piperidinyl ester, [S-(R*,S*)]
이름 더 보기
αR,αS-BenidipineAmikacin ImpurityBenidipine Impurity 13,5-Pyridinedicarboxylic acid, 1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)-, 3-methyl 5-[(3S)-1-(phenylmethyl)-3-piperidinyl] ester, (4R)-
물성
구조 계산 물성
- XLogP
- 4.6
- 극성 표면적
- 114 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 8
- 회전 가능 결합 수
- 8
- 무거운 원자 수
- 37
- 형식 전하
- 0
- 복잡도
- 933
물리화학적 성질
- 끓는 점
- 625.2 · 625.2±55.0 °C(Predicted)
- 밀도
- 1.29 · 1.29±0.1 g/cm3(Predicted)
- 산도 계수 (pKa)
- 8 · 8.00±0.10(Predicted)
화학 및 산업
공급사22 곳
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
济南百隆化学有限公司[email protected] · [email protected]
广州隽沐生物科技股份有限公司020-36607679; 13502246435 · [email protected]
广州佳途科技股份有限公司81960175-877 18933936954 · [email protected]
广州隽唐科技有限公司020-36607679 13502246435 · [email protected]
上海尺水药物研究有限公司[email protected] 13564957716 · [email protected]
大赛璐药物手性技术（上海）有限公司021-50460086-9 15921403865 · [email protected]
深圳菲斯生物科技有限公司0755-83725350 13380397412 · [email protected]
TLC梯尔希（南京）药物研发有限公司18012923235 · [email protected]
深圳振强药物研发有限公司+86-0755-66853366 +86-13670046396 · [email protected]
BOC Sciences16314854226; +8616314854226 · [email protected]
Standardpharm Co. Ltd.86-714-3992388 · [email protected]
BOC Sciences16314854226 · [email protected]
湖北扬信医药科技有限公司15374522761 · [email protected]
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