2H-Pyrazolo(4,3-c)quinoline, 3,3a,4,5-tetrahydro-2-acetyl-5-((4-methyl phenyl)sulfonyl)-3-phenyl-, cis-

Modify Date: 2024-01-10 16:45:06

2H-Pyrazolo(4,3-c)quinoline, 3,3a,4,5-tetrahydro-2-acetyl-5-((4-methyl phenyl)sulfonyl)-3-phenyl-, cis- Structure
2H-Pyrazolo(4,3-c)quinoline, 3,3a,4,5-tetrahydro-2-acetyl-5-((4-methyl phenyl)sulfonyl)-3-phenyl-, cis- structure
Common Name 2H-Pyrazolo(4,3-c)quinoline, 3,3a,4,5-tetrahydro-2-acetyl-5-((4-methyl phenyl)sulfonyl)-3-phenyl-, cis-
CAS Number 76298-68-5 Molecular Weight 445.53300
Density 1.33g/cm3 Boiling Point 620.8ºC at 760 mmHg
Molecular Formula C25H23N3O3S Melting Point N/A
MSDS N/A Flash Point 329.3ºC

 Names

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

 Chemical & Physical Properties

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

 Toxicological Information

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

 Synthetic Route

~%

2H-Pyrazolo(4,3-c)quinoline, 3,3a,4,5-tetrahydro-2-acetyl-5-((4-methyl phenyl)sulfonyl)-3-phenyl-, cis- Structure

2H-Pyrazolo(4,3...

CAS#: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

~%

2H-Pyrazolo(4,3-c)quinoline, 3,3a,4,5-tetrahydro-2-acetyl-5-((4-methyl phenyl)sulfonyl)-3-phenyl-, cis- Structure

2H-Pyrazolo(4,3...

CAS#: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

~%

2H-Pyrazolo(4,3-c)quinoline, 3,3a,4,5-tetrahydro-2-acetyl-5-((4-methyl phenyl)sulfonyl)-3-phenyl-, cis- Structure

2H-Pyrazolo(4,3...

CAS#: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

~%

2H-Pyrazolo(4,3-c)quinoline, 3,3a,4,5-tetrahydro-2-acetyl-5-((4-methyl phenyl)sulfonyl)-3-phenyl-, cis- Structure

2H-Pyrazolo(4,3...

CAS#: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