5936-28-7 (盐酸黄连碱,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)-)

CAS号:
5936-28-7
中文名称:
盐酸黄连碱
英文名称:
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)-
分子式:
C21H22ClNO6
分子量:
419.855485439301

盐酸黄连碱(5936-28-7)名称与标识符

名称

中文别名:
(+)-B-金印草素盐酸盐;白毛莨碱盐酸盐;盐酸白毛莨碱;盐酸黄连碱;beta-白毛莨碱盐酸盐;
英文别名:
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;HYDRASTINE HCl,(+)-B-(P);HYDRASTINE HYDROCHLORIDE;HydrastineHCl;ISOCORYNE HYDROCHLORIDE;(3S)-6,7-Dimethoxy-3-[(5R)-5,6,7,8-tetrahydro-6-methyl-1,3-dioxolo[4,5-g]isoquinolin-5-yl]-1(3H)-isobenzofuranone hydrochloride;(1R,9S)-beta-Hydrastine hydrochloride;SMR001233238;562PDC2I9K;(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;UNII-562PDC2I9K;5936-28-7;Hydrastinhydrochlorid;beta-Hydrastine hydrochloride;HYDRASTINE HYDROCHLORIDE [MART.];Hydrastine hydrochloride [USP];HMS1569F04;Hydrastine hydrochloride, European Pharmacopoeia (EP) Reference Standard;CHEMBL1256988;Hydrastine HCl;HYDRASTINE HYDROCHLORIDE [MI];Prestwick_262;SCHEMBL1374184;HYDRASTINE HYDROCHLORIDE [WHO-DD];DTXSID40974771;NS00082618;Q27261364;EINECS 227-692-9;MLS002153888;

标识符

InChIKey:
URBFHJWLYXILMP-VOMIJIAVSA-N
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
SMILES:
Cl.O1C(C2C(=C(C=CC=2[C@H]1[C@H]1C2C=C3C(=CC=2CCN1C)OCO3)OC)OC)=O

盐酸黄连碱(5936-28-7)物化性质

实验特性

  • LogP : 3.61310
  • PSA : 66.46000
  • 沸点 : 548.8°C at 760 mmHg
  • 熔点 : 115°C
  • 闪点 : 285.7°C
  • 比旋光度 : D17 +127° (c = 4 in dil HCl)

计算特性

  • 精确分子量 : 419.11400
  • 氢键供体数量 : 1
  • 氢键受体数量 : 7
  • 可旋转化学键数量 : 3
  • 同位素质量 : 419.114
  • 重原子数量 : 29
  • 复杂度 : 601
  • 同位素原子数量 : 0
  • 确定原子立构中心数量 : 2
  • 不确定原子立构中心数量 : 0
  • 确定化学键立构中心数量 : 0
  • 不确定化学键立构中心数量 : 0
  • 共价键单元数量 : 2
  • 拓扑分子极性表面积 : 66.5A^2

盐酸黄连碱(5936-28-7)安全信息

盐酸黄连碱(5936-28-7)国际标准相关数据

EINECS:
227-692-9

盐酸黄连碱(5936-28-7)推荐厂家 更多厂家(1)

公司名称手机号/电话联系人QQ微信询单
上海源叶生物科技有限公司 15026964105
15026964105
汤思磊 2881489226
询单

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