Benidipine hydrochloride（CAS号：91599-74-5）

盐酸贝尼地平

基本信息

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CAS号

91599-74-5

分子式

C28H32ClN3O6

分子量

542.02 g/mol

化学分类

基础化工原料有机化学品羧酸类

基础化工原料有机化学品酯类

基础化工原料有机化学品醚类

基础化工原料有机化学品杂环化合物

医药化工医药中间体杂环中间体

精细化工产品染料和颜料有机染料

精细化工产品表面活性剂阴离子表面活性剂

农用化学品农药除草剂

实验室化学品科研化学品生化试剂

基本物理性质

熔点

200°C

沸点

645.9ºC at 760 mmHg

闪点

344.4ºC

溶解度

DMSO: ≥20mg/mL

SMILES

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CC1=C(C(C(=C(N1)C)C(=O)OC2CCCN(C2)CC3=CC=CC=C3)C4=CC(=CC=C4)[N+](=O)[O-])C(=O)OC.Cl

InChI

InChI=1S/C28H31N3O6.ClH/c1-18-24(27(32)36-3)26(21-11-7-12-22(15-21)31(34)35)25(19(2)29-18)28(33)37-23-13-8-14-30(17-23)16-20-9-5-4-6-10-20;/h4-7,9-12,15,23,26,29H,8,13-14,16-17H2,1-3H3;1H/t23-,26-;/m1./s1

InChIKey

KILKDKRQBYMKQX-MIPPOABVSA-N

LogP

3.74270

pKa

7.34(at 25℃)

复杂度

933

安全信息

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危险说明

H301 吞咽会中毒
急性毒性-经口

H351 怀疑致癌
致癌性

H360 可能对生育能力或胎儿造成伤害
生殖毒性

危险类别

Class 6.1 Class 6.1

毒性

LD50 orally in male mice: 218 mg/kg (Muto, 1988)

同义词与引用数据

英文

Benidipine hydrochloride
Benidipine HCl
rac Benidipine Hydrochloride
1-(BENZYLMETHYL)-3-PIPERIDINYL 1,4-DIHYDRO-2,6-DIMETHYL-4-(3-NITROPHENYL)-3,5-PYRIDINEDICARBOLATE
5-O-[(3R)-1-benzylpiperidin-3-yl] 3-O-methyl (4R)-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate,hydrochloride
KW-3049
(+-)-Benidipine hydrochloride
3,5-Pyridinedicarboxylic acid,1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)-,methyl (3R)-1-(phenylmethyl)-3-piperidinyl ester,monohydrochloride,(4R)-rel
5-O-methyl 3-O-[1-(phenylmethyl)-piperidin-3-yl] 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate hydrochloride
KW 3049
(4R)-rel-3,5-Pyridinedicarboxylic acid
1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)-
3-methyl 5-[(3R)-1-(phenylmethyl)-3-piperidinyl] ester
hydrochloride (1:1)
3-[(3RS)-1-Benzylpiperidin-3-yl] 5-Methyl (4RS)-2,6-Dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate Hydrochloride
KW‐3049
(R,R)-(+/-)-2,6-Dimethyl-4-(3-nitrophenyl)-1,4-Dihydro-3,5-pyridine-dicarboxylic acid methyl-1-benzyl-3-piperidyl-ester hydrochloride
Benidipine (hydrochloride)
C28H31N3O6.HCl
Benidipine (+-)-alpha-form hydrochloride
(-)-alpha-Benidipine hydrochloride
3,5-Pyridinedicarboxylic acid, 1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)-, methyl 1-(phenylmethyl)-3-piperidinyl ester, monohydrochloride, (R*,R*)-(+-)-
3,5-Pyridinedicarboxylic acid, 1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)-, methyl (3R)-1-
3,5-Pyridinedicarboxylic acid, 1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)-, methyl (3R)-1-(phenylmethyl)-3-piperidinyl ester, monohydrochloride, (4R)-rel- (9CI)
3,5-Pyridinedicarboxylic acid, 1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)-, methyl 1-(phenylmethyl)-3-piperidinyl ester, monohydrochloride, (R*,R*)-(±)- (ZCI)
(±)-Benidipine hydrochloride
Coniel
rel-3-((R)-1-benzylpiperidin-3-yl) 5-methyl (R)-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate
BENIDIPINE HCl
Benidipine hydrochloride [JAN]
CS-5152

中文

盐酸贝尼地平
(R,R)-(+/-)-2,6-二甲基-4-(3-硝基苯)-1,4-二氢-3,5-吡啶二羧酸-甲基-(R)-1-苄基-3-哌啶基酯盐酸盐
RAC-盐酸贝尼地平
盐酸贝尼地平中间体
(±)(R*)-3-((R*)-1-苄基-3-哌啶基)-5-甲基-2,6-二甲基-4-(3-硝基苯基
(R)-rel-2,6-二甲基-4-(3-硝基苯基)-1,4-二氢吡啶-3,5-二羧酸5-甲基3-[(R)-1-苄基哌啶-3-基]酯盐酸盐

MDL号

MFCD00906929

海关编码

2942000000

常见问题

什么是盐酸贝尼地平(CAS号：91599-74-5)？

盐酸贝尼地平是一种钙通道阻滞剂，化学名称为1-(4-氯苯基)-4-(2-甲氧基乙基)-3,5-二甲基-1H-吡唑-4-丙烯酸酯盐酸盐。其CAS号为91599-74-5，常用于心血管疾病治疗，如高血压和心绞痛。该化合物通过阻断钙离子进入心肌和血管平滑肌细胞，从而降低心脏收缩力和血管阻力，达到降压和改善心肌供血的效果。