CAS 126-17-0 MFCD00037844-Solasodine 澳洲茄铵 TAO{mole}

Solasodine 澳洲茄铵

CAS 126-17-0 MFCD00037844

化学结构图

SMILES: C[C@H]1[C@H]2[C@H](C[C@H]3[C@@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@@]32C)O[C@]12CC[C@@H](C)CN2

化学属性

Mol. Formula	C27H43NO2
Mol. Weight	413.71
Solubility	Freely soluble in benzene, pyridine, chloroform, acetone (3.5 mg/ml) at 30 °C, methanol (9.5 mg/ml) at 30 °C, 95% ethanol (5.0 mg/ml) at 30 °C, n-hexane (<1.0 mg/ml) at 30 °C, and water (<1.0 mg/ml) at 30 °C. Practically insoluble in ether.
Density
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别名和识别编码

Chemical Name	Solasodine
EC Number	204-774-2
Synonym	(3beta,22alpha,25r)-spirosol-5-en-3-o 5-SOLASODEN-3BETA-OL PURAPURIDINE Purapuridine SOLANCARPIDINE SOLASOD-5-EN-3BETA-OL SOLASODINE Salasdine Salasod-5-en-3β-ol Salasodine Solancarpidine Solanidine-S Solasod-5-en-3beta-ol; Purapuridine Solasod-5-en-3β-ol Solasodin Solasodine Solasodine hydrochloride base Sosasodine Spiro[8H-naphth[2',1':4,5]indeno[2,1-b]furan-8,2'-piperidine], spirosol-5-en-3-ol deriv. Spirosol-5-en-3-ol Spirosol-5-en-3-ol, (3beta,22alpha,25R)- delta5-20betaf,22alphaf,25alphaf,27-azaspirosten-3beta-ol 澳洲茄次碱澳洲茄胺澳洲茄铵茄解啶茄解定茄解定; 澳洲茄胺; 澳洲茄次碱茄解鹼
CAS Number	126-17-0
MDL Number	MFCD00037844
Chemical Name Translation	澳洲茄铵
Wiswesser Line Notation	T F5 E5 B666 HXO OUTJ A1 E1 G1 RQ H-& BT6MXTJ E1
Beilstein Registry Number	0094578
LabNetwork Molecule ID	LN01377960

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产品应用

A potentially useful precursor.

安全信息

Safety Statements

S22 Do not breathe dust 不要吸入粉尘；
S24/25 Avoid contact with skin and eyes 避免皮肤和眼睛接触；

RTECSWF1300000

Storage condition 储存温度-20°C 储存温度2-8°C

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 - 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            : 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

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 Farm

TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Pri

TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
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
SPECIES OBSERVED        : Mammal - dog
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
SPECIES OBSERVED        : Rodent - hamster
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

GHS Symbol

UN Number

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Signal word

WGK Germany

Risk Statements

Precautionary statements

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其他信息

MOL 文件:126-17-0.mol
Solasodine(Purapuridine)是存在于茄科植物中的毒性生物碱，对宫颈癌细胞株（HeLa）和人髓性白血病细胞株（U937）有选择性的细胞毒性。