左旋千金藤啶碱

左旋千金藤啶碱 基本信息
CAS号 16562-13-3 分子式 C19H21NO4
分子量 327.37400 精确质量  327.14700
PSA  62.16000 LogP  2.70840

等价的CAS号:

16562-13-3,16562-14-4,66142-83-4

基本信息 展开↓

CAS号:
16562-13-3
3D弹球模型:
立即前往扯扯看
分子式:
C19H21NO4
分子量:
327.37400
中文名称:
左旋千金藤啶碱
英文名称:
L-Stepholidine
中文别名:
左旋千金藤啶碱;
2-METHOXY-6-NITRO-PHENYLAMINE;
6-Nitro-o-anisidine;
4-Bromo-3,5-dihydroxybenzoic acid;
3,5-Dinitro-4-Methyl Benzoic Acid;
4-Bromophenylacetonitrile;
2-Methyl-3-butenenitrile;
1,2,3,4-Tetrahydro-9H-Pyrido[3,4-B]Indole;
Noreleagnine;
3-n-Butoxypropylamine, 98+%;
3-aminopropyl butyl ether;
3-butoxy-1-propanamin;
3-Butoxy Propylamine;
3-Butoxy Propyl Amine;
3-butoxypropan-1-amine;
3-butoxypropan-1-aminium;
3-butoxy-1-propanamine;
3-Butoxypropanamine;
Pyrosin B;
Spiro[isobenzofuran-1(3H),9'-[9H]xanthen]-3-one, 3',6'-dihydroxy-2',4',5',7'-tetraiodo-, disodium salt;
Tetraiodifluorescein, disodium salt;
disodium 2-(2,4,5,7-tetraiodo-6-oxido-3-oxo-3H-xanthen-9-yl)benzoate;
disodium 2',4',5',7'-tetraiodo-3-oxo-3H-spiro[2-benzofuran-1,9'-xanthene]-3',6'-diolate;
(4aR,11aR,15aS,22aS)-icosahydrodibenzo[b,k][1,4,7,10,13,16]hexaoxacyclooctadecine;
(4aR,11aS,15aR,22aS)-icosahydrodi;
Dicyclohexano-18-crown-6 (mixture isomeres);
D-Gluconic acid, 2,4:2',4'-O-(oxydistibylidyne)bis-, Sb,Sb'-dioxide, trisodium salt, nonahydrate;
dioxodistiboxane -
英文别名:
L-Stepholidine;
(13aS)-3,9-dimethoxy-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinoline-2,10-diol;
(S)-3,9-Dimethoxy-6,8,13,13a-tetrahydro-5H-isoquinolino[3,2-a]isoquinoline-2,10-diol
精确分子量/精确质量:
327.14700
极性分子表面积/PSA:
62.16000
油水分配系数/LogP:

LogP值指的是某物质在正辛醇/水两相体系中的分配系数的对数值,反映了物质在油水两相中的分配情况。其中、LogP值越大,说明该物质越亲油;反之,LogP值越小,则说明该物质越亲水。
InChI:
InChI=1/C19H21NO4/c1-23-18-8-12-5-6-20-10-14-11(3-4-16(21)19(14)24-2)7-15(20)13(12)9-17(18)22/h3-4,8-9,15,21-22H,5-7,10H2,1-2H3/t15-/m0/s1

物化性质展开↓

密度:
1.37 g/cm3
熔点:
120-122ºC
沸点:
524ºC at 760 mmHg
闪点:
270.7ºC
折射率:
1.679
蒸汽压:
1.34E-11mmHg at 25°C

安全信息展开↓

海关代码:
2933990090

合成路线查看所有的合成路线

  • 1196996-62-9

    1196996-62-9

  • 16562-14-4

    3,9-dimethoxy-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinoline-2,10-diol

  • +

  • 16562-13-3

    左旋千金藤啶碱

毒理性展开↓

CHEMICAL IDENTIFICATION

RTECS NUMBER :
DR9823500
CHEMICAL NAME :
13a-alpha-Berbine-2,10-diol, 3,9-dimethoxy-
CAS REGISTRY NUMBER :
16562-13-3
LAST UPDATED :
198707
DATA ITEMS CITED :
2
MOLECULAR FORMULA :
C19-H21-N-O4
MOLECULAR WEIGHT :
327.41

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
928 mg/kg
TOXIC EFFECTS :
Behavioral - convulsions or effect on seizure threshold Lungs, Thorax, or Respiration - respiratory depression
REFERENCE :
CYLPDN Zhongguo Yaoli Xuebao. Acta Pharmacologica Sinica. Chinese Journal of Pharmacology. (China International Book Trading Corp., POB 2820, Beijing, Peop. Rep. China) V.1- 1980- Volume(issue)/page/year: 6,156,1985
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
358 mg/kg
TOXIC EFFECTS :
Lungs, Thorax, or Respiration - respiratory depression
REFERENCE :
CYLPDN Zhongguo Yaoli Xuebao. Acta Pharmacologica Sinica. Chinese Journal of Pharmacology. (China International Book Trading Corp., POB 2820, Beijing, Peop. Rep. China) V.1- 1980- Volume(issue)/page/year: 7,522,1986

海关数据查看详细

中国海关编码:2933990090

概述:
2933990090. 其他仅含氮杂原子的杂环化合物. 增值税率:17.0%. 退税率:13.0%. 监管条件:无. 最惠国关税:6.5%. 普通关税:20.0%
申报要素:
品名, 成分含量, 用途, 乌洛托品请注明外观, 6-己内酰胺请注明外观, 签约日期
摘要/Summary:
2933990090. heterocyclic compounds with nitrogen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%
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