宋果灵

宋果灵 基本信息
CAS号 509-24-0 分子式 C22H31NO3
分子量 357.48600 精确质量 　357.23000
PSA 　60.77000 LogP 　1.93790
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目录
基本信息 物化性质 毒性 上下游

基本信息 展开↓

CAS号：
509-24-0
3D弹球模型：
立即前往扯扯看
分子式：
C22H31NO3
分子量：
357.48600
中文名称：
宋果灵
英文名称：
Songorine
中文别名：
宋果灵;
一枝蒿庚素;
华北乌头碱;
准葛尔乌头碱
英文别名：
Songorine;
(20R)-21-Ethyl-1α,15β-dihydroxy-4-methyl-16-methylene-7α,20-cycloveatchan-12-one;
Napellonine;
Zongorine;
(3R,6S,6aR,6bR,9R,11R,11aR,12R,12aR,14R)-1-Ethyldodecahydro-6,11-dihydroxy-3-methyl-10-methylene-12,3,6a-ethanylylidene-9,11a-methanoazuleno[2,1-b]azocin-8(9H)-one;
Napellonin;
Xuan-Wu 2;
Songorine,BullatineG;
ShiMoburo base I
精确分子量/精确质量：
357.23000
极性分子表面积/PSA：
60.77000
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/C22H31NO3/c1-4-23-10-20(3)6-5-17(25)22-15(20)7-13(18(22)23)21-9-12(11(2)19(21)26)14(24)8-16(21)22/h12-13,15-19,25-26H,2,4-10H2,1,3H3/t12-,13+,15-,16-,17+,18?,19-,20+,21+,22+/m1/s1

物化性质展开↓

密度：
1.29g/cm3
熔点：
201-203ºC
沸点：
535.8ºC at 760 mmHg
闪点：
277.8ºC
折射率：
1.629

毒理性展开↓

CHEMICAL IDENTIFICATION

RTECS NUMBER :
WG0780000
CHEMICAL NAME :
Songorine
CAS REGISTRY NUMBER :
509-24-0
BEILSTEIN REFERENCE NO. :
0045107
LAST UPDATED :
199709
DATA ITEMS CITED :
6
MOLECULAR FORMULA :
C22-H31-N-O3
MOLECULAR WEIGHT :
357.54
WISWESSER LINE NOTATION :
T G5 D665 B6 B6/G-J/CL/LR A G- 5BBCCJ R CX FV HY JX MNTJ HU1 IQ M2 O1 RQ

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
408 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
JOETD7 Journal of Ethnopharmacology. (Elsevier Scientific Pub. Ireland Ltd., POB 85, Limerick, Ireland) V.1- 1979- Volume(issue)/page/year: 4,247,1981
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
1575 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
JOETD7 Journal of Ethnopharmacology. (Elsevier Scientific Pub. Ireland Ltd., POB 85, Limerick, Ireland) V.1- 1979- Volume(issue)/page/year: 4,247,1981
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
485 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
JOETD7 Journal of Ethnopharmacology. (Elsevier Scientific Pub. Ireland Ltd., POB 85, Limerick, Ireland) V.1- 1979- Volume(issue)/page/year: 4,247,1981
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Subcutaneous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
630 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
JOETD7 Journal of Ethnopharmacology. (Elsevier Scientific Pub. Ireland Ltd., POB 85, Limerick, Ireland) V.1- 1979- Volume(issue)/page/year: 4,247,1981
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
25 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
CTYAD8 Zhongcaoyao. Chinese Traditional and Herbal Medicine. (China International Book Trading Corp., POB 2820, Beijing, Peop. Rep. China) V.11- 1980- Volume(issue)/page/year: 15,5,1984
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Unreported
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
142 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
85KYAH "Merck Index; an Encyclopedia of Chemicals, Drugs, and Biologicals", 11th ed., Rahway, NJ 07065, Merck & Co., Inc. 1989 Volume(issue)/page/year: 11,1374,1989

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