(3S)-6,7-Dimethoxy-3-[(5R)-6-methyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-5-yl]-2-benzofuran-1(3H)-one hydrochloride (1:1)（CAS番号：5936-28-7）

(3S)-6,7-Dimethoxy-3-[(5R)-6-methyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-5-yl]-2-benzofuran-1(3H)-one hydrochloride (1:1)

基本情報

編集器で閲覧

CAS番号

5936-28-7

分子式

C21H22ClNO6

分子量

419.86 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

115°C

沸点

548.8°C at 760 mmHg

引火点

285.7°C

比旋光度

D17 +127° (c = 4 in dil HCl)

SMILES

編集器で閲覧

CN1CCC2=CC3=C(C=C2C1C4C5=C(C(=C(C=C5)OC)OC)C(=O)O4)OCO3.Cl

InChI

InChI=1S/C21H21NO6.ClH/c1-22-7-6-11-8-15-16(27-10-26-15)9-13(11)18(22)19-12-4-5-14(24-2)20(25-3)17(12)21(23)28-19;/h4-5,8-9,18-19H,6-7,10H2,1-3H3;1H/t18-,19+;/m1./s1

InChIKey

URBFHJWLYXILMP-VOMIJIAVSA-N

LogP

3.295000000000002

トポロジカル極性表面積

66.46000000000001 Å²

水素結合ドナー/アクセプター

0 / 7

複雑度

601

安全情報

安全情報を表示

危険物区分

Class 6.1(b) Class 6.1(b)

同義語と引用データ

英語

562PDC2I9K
Prestwick_262
HMS1569F04
NS00082618
5936-28-7
HYDRASTINE HYDROCHLORIDE [MI]
SCHEMBL1374184
Hydrastine hydrochloride, European Pharmacopoeia (EP) Reference Standard
MLS002153888
Hydrastine hydrochloride
HYDRASTINE HYDROCHLORIDE [MART.]
Hydrastine HCl
beta-Hydrastine hydrochloride
HYDRASTINE HYDROCHLORIDE [WHO-DD]
DTXSID40974771
CHEMBL1256988
SMR001233238
UNII-562PDC2I9K
Q27261364
EINECS 227-692-9
Hydrastine hydrochloride [USP]
(3S)-6,7-dimethoxy-3-[(5R)-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl]-3H-2-benzofuran-1-one;hydrochloride
Hydrastinhydrochlorid
1(3H)-Isobenzofuranone,6,7-dimethoxy-3-[(5R)-5,6,7,8-tetrahydro-6-methyl-1,3-dioxolo[4,5-g]isoquinolin-5-yl]-,hydrochloride (1:1), (3S)-
(+)-B-HYDRASTINE HCL
1(3H)-Isobenzofuranone,6,7-dimethoxy-3-[(5R)-5,6,7,8-tetrahydro-6-methyl-1,3-dioxolo[4,5-g]iso...
1(3H)-Isobenzofuranone,6,7-dimethoxy-3-[(5R)-5,6,7,8-tetrahydro-6-methyl-1,3-dioxolo[4,5-g]isoquinolin-5-yl]-,hydrochloride (
HYDRASTINE HYDROCHLORIDE CRYSTALLINE
(1R,9S)-B-hydrastine hydrochloride
(S)-6,7-dimethoxy-3-((R)-6-methyl-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)-3H-isobenzofuran-1-one,hydrochloride
HYDRASTINE HCL,(+)-B