Dayang Chem (Hangzhou) Co., Ltd.
China
Product Name: 2H-Pyrazolo(4,3-c)quinoline, 3,3a,4,5-tetrahydro-2-acetyl-5-((4-methyl phenyl)sulfonyl)-3-phenyl-, cis-
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Purity: 98.0%
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76298-68-5

76298-68-5 structure

Name: 2H-Pyrazolo(4,3-c)quinoline, 3,3a,4,5-tetrahydro-2-acetyl-5-((4-methyl phenyl)sulfonyl)-3-phenyl-, cis-
Chemical Name: 1-[(3S,3aR)-5-(4-methylphenyl)sulfonyl-3-phenyl-3a,4-dihydro-3H-pyrazolo[4,3-c]quinolin-2-yl]ethanone
CAS Number: 76298-68-5
Molecular Formula: C₂₅H₂₃N₃O₃S
Molecular Weight: 445.53300
Create Date: 2016-06-07 15:40:35
Modify Date: 2024-01-10 16:45:06

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

Density	1.33g/cm3
Boiling Point	620.8ºC at 760 mmHg
Molecular Formula	C₂₅H₂₃N₃O₃S
Molecular Weight	445.53300
Flash Point	329.3ºC
Exact Mass	445.14600
PSA	78.43000
LogP	4.64690
Index of Refraction	1.679

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

62750-11-2

76298-68-5

Literature: Kelkar, Prabhakar M.; Sangwan, Naresh K.; Rastogi, Shri Nivas; Anand, Nitya Indian Journal of Chemistry, Section B: Organic Chemistry Including Medicinal Chemistry, 1980 , vol. 19, # 4 p. 297 - 300

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