1-[(3S,3aR)-5-(4-methylphenyl)sulfonyl-3-phenyl-3a,4-dihydro-3H-pyrazolo[4,3-c]quinolin-2-yl]ethanone

1-[(3S,3aR)-5-(4-methylphenyl)sulfonyl-3-phenyl-3a,4-dihydro-3H-pyrazolo[4,3-c]quinolin-2-yl]ethanone 基本信息
CAS号 76298-68-5 分子式 C25H23N3O3S
分子量 445.53300 精确质量  445.14600
PSA  78.43000 LogP  4.64690

基本信息 展开↓

CAS号:
76298-68-5
3D弹球模型:
立即前往扯扯看
分子式:
C25H23N3O3S
分子量:
445.53300
英文名称:
1-[(3S,3aR)-5-(4-methylphenyl)sulfonyl-3-phenyl-3a,4-dihydro-3H-pyrazolo[4,3-c]quinolin-2-yl]ethanone
英文别名:
1-[(3S,3aR)-5-(4-methylphenyl)sulfonyl-3-phenyl-3a,4-dihydro-3H-pyrazolo[4,3-c]quinolin-2-yl]ethanone;
2H-Pyrazolo[4,3-c]quinoline,2-acetyl-3,3a,4,5-tetrahydro-5-[(4-methylphenyl)sulfonyl]-3-phenyl-, cis- (9CI)
精确分子量/精确质量:
445.14600
极性分子表面积/PSA:
78.43000
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:
The Key: WIJORROJSDRJBY-WIOPSUGQSA-N

物化性质展开↓

密度:
1.33g/cm3
沸点:
620.8ºC at 760 mmHg
闪点:
329.3ºC
折射率:
1.679
存储条件/存储方法:
库房通风低温干燥

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毒理性展开↓

CHEMICAL IDENTIFICATION

RTECS NUMBER :
UR0809230
CHEMICAL NAME :
2H-Pyrazolo(4,3-c)quinoline, 3,3a,4,5-tetrahydro-2-acetyl-5-((4-methylphenyl)sulfo nyl)- 3-phenyl-, cis-
CAS REGISTRY NUMBER :
76298-68-5
LAST UPDATED :
199612
DATA ITEMS CITED :
2
MOLECULAR FORMULA :
C25-H23-N3-O3-S
MOLECULAR WEIGHT :
445.57

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
800 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
IJSBDB Indian Journal of Chemistry, Section B: Organic Chemistry, Including Medicinal Chemistry. (Publications & Information Directorate, Council of Scientific and Industrial Research (CSIR), Hillside Rd., New Delhi 110 012, India) V.14B- 1976- Volume(issue)/page/year: 19,297,1980 ** REPRODUCTIVE DATA **
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
DOSE :
100 mg/kg
SEX/DURATION :
female 1-5 day(s) after conception
TOXIC EFFECTS :
Reproductive - Fertility - pre-implantation mortality (e.g. reduction in number of implants per female; total number of implants per corpora lutea)
REFERENCE :
IJSBDB Indian Journal of Chemistry, Section B: Organic Chemistry, Including Medicinal Chemistry. (Publications & Information Directorate, Council of Scientific and Industrial Research (CSIR), Hillside Rd., New Delhi 110 012, India) V.14B- 1976- Volume(issue)/page/year: 19,297,1980

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