Imitrodast

Modify Date: 2024-01-07 19:36:10

Imitrodast Structure
Imitrodast structure
Common Name Imitrodast
CAS Number 114686-12-3 Molecular Weight 260.31200
Density 1.43g/cm3 Boiling Point 494.6ºC at 760 mmHg
Molecular Formula C13H12N2O2S Melting Point N/A
MSDS N/A Flash Point 252.9ºC

 Names

Name 2-(imidazol-1-ylmethyl)-4,5-dihydro-1-benzothiophene-6-carboxylic acid
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.43g/cm3
Boiling Point 494.6ºC at 760 mmHg
Molecular Formula C13H12N2O2S
Molecular Weight 260.31200
Flash Point 252.9ºC
Exact Mass 260.06200
PSA 83.36000
LogP 2.40710
Vapour Pressure 1.33E-10mmHg at 25°C
Index of Refraction 1.718

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
DL9602100
CHEMICAL NAME :
Benzo(b)thiophene-6-carboxylic acid, 4,5-dihydro-2-(1H-imidazol-1-ylmethyl)-
CAS REGISTRY NUMBER :
114686-12-3
LAST UPDATED :
199512
DATA ITEMS CITED :
2
MOLECULAR FORMULA :
C13-H12-N2-O2-S
MOLECULAR WEIGHT :
260.33

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
1880 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
JKXXAF Japanese Kokai Tokyo Koho Patents. (U.S. Patent and Trademark Office, Foreign Patents, Washington, DC 20231) Volume(issue)/page/year: #94-192090
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
2760 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
JKXXAF Japanese Kokai Tokyo Koho Patents. (U.S. Patent and Trademark Office, Foreign Patents, Washington, DC 20231) Volume(issue)/page/year: #94-192090

 Synonyms

Imitrodast
4,5-dihydro-2-(1-imidazolyl)methylthianaphthene-6-carboxylic acid
2-(1H-Imidazol-1-ylmethyl)-4,5-dihydrobenzo(b)thiophene-6-carboxylic acid
Benzo[b]thiophene-6-carboxylicacid,4,5-dihydro-2-(1H-imidazol-1-ylmethyl)
Imitrodast [INN]
4,5-Dihydro-2-(imidazol-1-ylmethyl)benzo(b)thiophene-6-carboxylic acid
2-(1h-imidazol-1-ylmethyl)-4,5-dihydro-1-benzothiophene-6-carboxylic acid
UNII-JCQ5G1KFHN
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