protopine

物化性质

外观与性状：

灰白色固体

密度：

1.323 g/cm3

熔点：

211ºC

沸点：

547.5ºC at 760 mmHg

闪点：

284.9ºC

折射率：

1.613

蒸汽压：

4.86E-12mmHg at 25°C

安全信息

外观与性状：

灰白色固体

密度：

1.323 g/cm3

熔点：

211ºC

沸点：

547.5ºC at 760 mmHg

闪点：

284.9ºC

折射率：

1.613

蒸汽压：

4.86E-12mmHg at 25°C

毒理性

CHEMICAL IDENTIFICATION

RTECS NUMBER :

VS2800000

CAS REGISTRY NUMBER :

130-86-9

LAST UPDATED :

199803

DATA ITEMS CITED :

5

MOLECULAR FORMULA :

C20-H19-N-O5

MOLECULAR WEIGHT :

353.40

WISWESSER LINE NOTATION :

T I5 F6 C-10-65 DV JO LO PN VO A&O KH&&T&&J P1

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :

LDLo - Lowest published lethal dose

ROUTE OF EXPOSURE :

Intraperitoneal

SPECIES OBSERVED :

Rodent - rat

DOSE/DURATION :

100 mg/kg

TOXIC EFFECTS :

Details of toxic effects not reported other than lethal dose value

REFERENCE :

NCNSA6 National Academy of Sciences, National Research Council, Chemical-Biological Coordination Center, Review. (Washington, DC) Volume(issue)/page/year: 5,24,1953

TYPE OF TEST :

LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :

Intraperitoneal

SPECIES OBSERVED :

Rodent - mouse

DOSE/DURATION :

482 mg/kg

TOXIC EFFECTS :

Details of toxic effects not reported other than lethal dose value

REFERENCE :

YHTPAD Yaoxue Tongbao. Bulletin of Pharmacology. (China International Book Trading Corp., POB 2820, Beijing, Peop. Rep. China) V.13-23, 1978-88. For publisher information, see ZYZAEU. Volume(issue)/page/year: 16(6),7,1981

TYPE OF TEST :

LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :

Intravenous

SPECIES OBSERVED :

Rodent - mouse

DOSE/DURATION :

31 mg/kg

TOXIC EFFECTS :

Details of toxic effects not reported other than lethal dose value

REFERENCE :

PCJOAU Pharmaceutical Chemistry Journal (English Translation). Translation of KHFZAN. (Plenum Pub. Corp., 233 Spring St., New York, NY 10013) No.1- 1967- Volume(issue)/page/year: 11,640,1977

TYPE OF TEST :

LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :

Oral

SPECIES OBSERVED :

Rodent - guinea pig

DOSE/DURATION :

237 mg/kg

TOXIC EFFECTS :

Details of toxic effects not reported other than lethal dose value

REFERENCE :

THERAP Therapie. (Doin, Editeurs, 8, Place de l'Odeon, F-75006 Paris, France) V.1- 1946- Volume(issue)/page/year: 28,767,1973

TYPE OF TEST :

LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :

Intraperitoneal

SPECIES OBSERVED :

Rodent - guinea pig

DOSE/DURATION :

116 mg/kg

TOXIC EFFECTS :

Details of toxic effects not reported other than lethal dose value

REFERENCE :

THERAP Therapie. (Doin, Editeurs, 8, Place de l'Odeon, F-75006 Paris, France) V.1- 1946- Volume(issue)/page/year: 28,767,1973

分子结构与计算化学数据

分子结构数据

1、 摩尔折射率：92.97

2、 摩尔体积（cm³/mol）：266.9

3、 等张比容（90.2K）：711.6

4、 表面张力（dyne/cm）：50.5

5、 极化率（10-24cm3）：36.85

计算化学数据

1.疏水参数计算参考值（XlogP）:2.8

2.氢键供体数量:0

3.氢键受体数量:6

4.可旋转化学键数量:0

5.互变异构体数量:2

6.拓扑分子极性表面积57.2

7.重原子数量:26

8.表面电荷:0

9.复杂度:542

10.同位素原子数量:0

11.确定原子立构中心数量:0

12.不确定原子立构中心数量:0

13.确定化学键立构中心数量:0

14.不确定化学键立构中心数量:0

15.共价键单元数量:1