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

Benidipine hydrochloride

基本情報

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CAS番号

91599-74-5

分子式

C28H32ClN3O6

分子量

542.02 g/mol

化学分類

基礎化学原料有機化学品カルボン酸類

基礎化学原料有機化学品エステル類

基礎化学原料有機化学品エーテル類

基礎化学原料有機化学品複素環化合物

医薬化学品医薬中間体複素環中間体

精密化学品染料および顔料有機染料

精密化学品界面活性剤アニオン性界面活性剤

農業化学品農薬除草剤

実験室化学品研究用化学品生化学試薬

基本的な物理特性

融点

200°C

沸点

645.9ºC at 760 mmHg

引火点

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℃)

複雑度

933

安全情報

安全情報を表示

危険性の表示

H301 飲み込むと有毒
急性毒性（経口）

H351 発がんのおそれの疑い
発がん性

H360 生殖能または胎児への悪影響のおそれ
生殖毒性

危険物区分

Class 6.1 Class 6.1

毒性

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

同義語と引用データ

英語

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