茄解定; 澳洲茄胺; 澳洲茄次碱

密度：

1.12 g/cm3

熔点：

284 °C (dec.)(lit.)

沸点：

537.9ºC at 760 mmHg

闪点：

279.1ºC

水溶解性：

200 g/L (25 ºC)

折射率：

86 ° (C=4, H2O)

蒸汽压：

8.21E-14mmHg at 25°C

安全说明：

S22-S24/25

RTECS号：

WF1300000

安全标志：

S22:不要吸入粉尘。
S24/25:防止皮肤和眼睛接触。

CHEMICAL IDENTIFICATION

RTECS NUMBER :

WF1300000

CHEMICAL NAME :

Solasod-5-en-3-beta-ol

CAS REGISTRY NUMBER :

126-17-0

BEILSTEIN REFERENCE NO. :

0094578

LAST UPDATED :

199612

DATA ITEMS CITED :

14

MOLECULAR FORMULA :

C27-H43-N-O2

MOLECULAR WEIGHT :

413.71

WISWESSER LINE NOTATION :

T F5 E5 B666 HXO OUTJ A1 E1 G1 RQ H-& BT6MXTJ E1

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :

LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :

Oral

SPECIES OBSERVED :

Rodent - rat

DOSE/DURATION :

4978 mg/kg

TOXIC EFFECTS :

Autonomic Nervous System - other (direct) parasympathomimetic Behavioral - changes in motor activity (specific assay) Kidney, Ureter, Bladder - urine volume increased

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: 11,1095,1977

TYPE OF TEST :

LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :

Intraperitoneal

SPECIES OBSERVED :

Rodent - rat

DOSE/DURATION :

396 mg/kg

TOXIC EFFECTS :

Autonomic Nervous System - other (direct) parasympathomimetic Behavioral - changes in motor activity (specific assay) Kidney, Ureter, Bladder - urine volume increased

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: 11,1095,1977

TYPE OF TEST :

LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :

Oral

SPECIES OBSERVED :

Rodent - mouse

DOSE/DURATION :

27500 ug/kg

TOXIC EFFECTS :

Details of toxic effects not reported other than lethal dose value

REFERENCE :

FATOAO Farmakologiya i Toksikologiya (Moscow). For English translation, see PHTXA6 and RPTOAN. (V/O Mezhdunarodnaya Kniga, 113095 Moscow, USSR) V.2- 1939- Volume(issue)/page/year: 24,469,1961

TYPE OF TEST :

LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :

Intraperitoneal

SPECIES OBSERVED :

Rodent - mouse

DOSE/DURATION :

899 mg/kg

TOXIC EFFECTS :

Autonomic Nervous System - other (direct) parasympathomimetic Behavioral - changes in motor activity (specific assay) Kidney, Ureter, Bladder - urine volume increased

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: 11,1095,1977

TYPE OF TEST :

LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :

Intraperitoneal

SPECIES OBSERVED :

Rodent - guinea pig

DOSE/DURATION :

103 mg/kg

TOXIC EFFECTS :

Autonomic Nervous System - other (direct) parasympathomimetic Behavioral - changes in motor activity (specific assay) Kidney, Ureter, Bladder - urine volume increased

REFERENCE :

FATOAO Farmakologiya i Toksikologiya (Moscow). For English translation, see PHTXA6 and RPTOAN. (V/O Mezhdunarodnaya Kniga, 113095 Moscow, USSR) V.2- 1939- Volume(issue)/page/year: 37,719,1974

TYPE OF TEST :

LDLo - Lowest published lethal dose

ROUTE OF EXPOSURE :

Oral

SPECIES OBSERVED :

Rodent - hamster

DOSE/DURATION :

1200 mg/kg

TOXIC EFFECTS :

Details of toxic effects not reported other than lethal dose value

REFERENCE :

TJADAB Teratology, The International Journal of Abnormal Development. (Alan R. Liss, Inc., 41 E. 11th St., New York, NY 10003) V.1- 1968- Volume(issue)/page/year: 17,327,1978 ** OTHER MULTIPLE DOSE TOXICITY DATA **

TYPE OF TEST :

TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :

Oral

SPECIES OBSERVED :

Rodent - rat

DOSE/DURATION :

4250 mg/kg/4W-I

TOXIC EFFECTS :

Brain and Coverings - other degenerative changes Kidney, Ureter, Bladder - interstitial nephritis Related to Chronic Data - death

REFERENCE :

FATOAO Farmakologiya i Toksikologiya (Moscow). For English translation, see PHTXA6 and RPTOAN. (V/O Mezhdunarodnaya Kniga, 113095 Moscow, USSR) V.2- 1939- Volume(issue)/page/year: 37,719,1974

TYPE OF TEST :

TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :

Oral

SPECIES OBSERVED :

Rodent - rat

DOSE/DURATION :

3375 mg/kg/5W-I

TOXIC EFFECTS :

Liver - hepatitis (hepatocellular necrosis), zonal Liver - changes in liver weight Blood - changes in leukocyte (WBC) count

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: 11,1095,1977

TYPE OF TEST :

TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :

Oral

SPECIES OBSERVED :

Mammal - cat

DOSE/DURATION :

120 mg/kg/8D-I

TOXIC EFFECTS :

Related to Chronic Data - death

REFERENCE :

FATOAO Farmakologiya i Toksikologiya (Moscow). For English translation, see PHTXA6 and RPTOAN. (V/O Mezhdunarodnaya Kniga, 113095 Moscow, USSR) V.2- 1939- Volume(issue)/page/year: 24,469,1961 ** REPRODUCTIVE DATA **

TYPE OF TEST :

TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :

Oral

DOSE :

120 mg/kg

SEX/DURATION :

female 6-9 day(s) after conception

TOXIC EFFECTS :

Reproductive - Fertility - post-implantation mortality (e.g. dead and/or resorbed implants per total number of implants)

REFERENCE :

LANCAO Lancet. (7 Adam St., London WC2N 6AD, UK) V.1- 1823- Volume(issue)/page/year: 1,1187,1973

TYPE OF TEST :

TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :

Intraperitoneal

DOSE :

300 mg/kg

SEX/DURATION :

male 30 day(s) pre-mating

TOXIC EFFECTS :

Reproductive - Paternal Effects - spermatogenesis (incl. genetic material, sperm morphology, motility, and count) Reproductive - Paternal Effects - testes, epididymis, sperm duct

REFERENCE :

IJANDP International Journal of Andrology. (Scriptor Publisher ApS, 15 Gasvaerksvej, DK-1656 Copenhagen V, Denmark) V.1- 1978- Volume(issue)/page/year: 5,295,1982

TYPE OF TEST :

TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :

Oral

DOSE :

15 gm/kg

SEX/DURATION :

male 150 day(s) pre-mating

TOXIC EFFECTS :

Reproductive - Paternal Effects - spermatogenesis (incl. genetic material, sperm morphology, motility, and count) Reproductive - Paternal Effects - testes, epididymis, sperm duct Reproductive - Paternal Effects - prostate, seminal vesicle, Cowper's gland, accessory glands

REFERENCE :

ANDRDQ Andrologia. (Grosse Verlag GmbH, Kurfuerstenstr. 112-113, D-1000 Berlin 30, Fed. Rep. Ger.) V.6- 1974- Volume(issue)/page/year: 21,542,1989

TYPE OF TEST :

TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :

Oral

DOSE :

1500 mg/kg

SEX/DURATION :

female 7 day(s) after conception

TOXIC EFFECTS :

Reproductive - Specific Developmental Abnormalities - Central Nervous System Reproductive - Fertility - post-implantation mortality (e.g. dead and/or resorbed implants per total number of implants)

REFERENCE :

BECTA6 Bulletin of Environmental Contamination and Toxicology. (Springer-Verlag New York, Inc., Service Center, 44 Hartz Way, Secaucus, NJ 07094) V.1- 1966- Volume(issue)/page/year: 15,522,1976

TYPE OF TEST :

TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :

Oral

DOSE :

1184 mg/kg

SEX/DURATION :

female 8 day(s) after conception

TOXIC EFFECTS :

Reproductive - Specific Developmental Abnormalities - Central Nervous System

REFERENCE :

RCOCB8 Research Communications in Chemical Pathology and Pharmacology. (PJD Pub. Ltd., P.O. Box 966, Westbury, NY 11590) V.1- 1970- Volume(issue)/page/year: 13,723,1976

分子结构数据

1、   摩尔折射率：121.27

2、   摩尔体积（cm³/mol）：368.3

3、   等张比容（90.2K）：956.8

4、   表面张力（dyne/cm）：45.5

5、   极化率（10^-24cm³）：48.07

计算化学数据

1、   疏水参数计算参考值（XlogP）：5.4

2、   氢键供体数量：2

3、   氢键受体数量：3

4、   可旋转化学键数量：0

5、   互变异构体数量：

6、   拓扑分子极性表面积（TPSA）：41.5

7、   重原子数量：30

8、   表面电荷：0

9、   复杂度：749

10、同位素原子数量：0

11、确定原子立构中心数量：11

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