3-((2,5-Diethyl-1H-pyrrol-1-yl)sulfonyl)-4-phenoxy-5-((3-thienylmethyl )amino)benzoic acid

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Names

[ CAS No. ]:
76557-33-0

[ Name ]:
3-((2,5-Diethyl-1H-pyrrol-1-yl)sulfonyl)-4-phenoxy-5-((3-thienylmethyl )amino)benzoic acid

Chemical & Physical Properties

[ Density]:
1.32g/cm3

[ Boiling Point ]:
690.9ºC at 760 mmHg

[ Molecular Formula ]:
C26H26N2O5S2

[ Molecular Weight ]:
510.62500

[ Flash Point ]:
371.7ºC

[ Exact Mass ]:
510.12800

[ PSA ]:
134.25000

[ LogP ]:
7.16780

[ Index of Refraction ]:
1.641

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
DG8558150
CHEMICAL NAME :
Benzoic acid, 3-((2,5-diethyl-1H-pyrrol-1-yl)sulfonyl)-4-phenoxy-5- ((3-thienylmethyl)ami no)-
CAS REGISTRY NUMBER :
76557-33-0
LAST UPDATED :
199703
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C26-H26-N2-O5-S2
MOLECULAR WEIGHT :
510.66

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
2150 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
EPXXDW European Patent Application. (U.S. Patent and Trademark Office, Foreign Patents, Washington, DC 20231) Volume(issue)/page/year: #0008367

Related Compounds

  • 4-((Cyclohexylamino)methyl)benzoic acid hydrochloride
  • 1-[(2,4-Dichlorophenyl)methyl]-N-(1,1-dimethylethyl)-2-methyl-1H-indole-3-methanamine
  • 2-Methoxy-6-(pyrazol-1-yl)-benzonitrile
  • 1H-3-Benzazepin-7-ol, 8-chloro-2,3,4,5-tetrahydro-5-(3-iodophenyl)-3-methyl-, (S)-
  • (4-Methyl-tetrahydro-furan-2-yl)-methanol
  • N-(1-cyanocyclopentyl)-2-[4-(4-fluorobenzenesulfonyl)-1,4-diazepan-1-yl]acetamide
  • L-Isoleucine, L-norvalyl-
  • 4,5,6,7-Tetrahydrobenzo[d]isoxazole-3-carbaldehyde
  • tert-Butyl-DL-alanine
  • 2,2-Dimethyl-1-(3-(quinolin-8-yloxy)pyrrolidin-1-yl)propan-1-one