Tolcapone
Names
[ CAS No. ]:
134308-13-7
[ Name ]:
Tolcapone
[Synonym ]:
UNII-CIF6334OLY
1-(3,4-dihydroxy-5-nitrophenyl)-1-(4-methylphenyl)methanone
tolcapone
Methanone, (3,4-dihydroxy-5-nitrophenyl)(4-methylphenyl)-
tolcapone [INN_en]
3,4-Dihydroxy-4'-methyl-5-nitrobenzophenone
4'-methyl-3,4-dihydroxy-5-nitro-benzophenone
[14C]-Tolcapone
Tasmar (TN)
MFCD00866569
Methanone,(3,4-dihydroxy-5-nitrophenyl)(4-methylphenyl)
Tasmar
(3,4-Dihydroxy-5-nitrophenyl)(4-methylphenyl)methanone
Ro 40-7592
Biological Activity
[Description]:
[Related Catalog]:
[References]
[Related Small Molecules]
Chemical & Physical Properties
[ Density]:
1.4±0.1 g/cm3
[ Boiling Point ]:
485.6±45.0 °C at 760 mmHg
[ Melting Point ]:
126-128ºC
[ Molecular Formula ]:
C14H11NO5
[ Molecular Weight ]:
273.241
[ Flash Point ]:
205.7±17.2 °C
[ Exact Mass ]:
273.063721
[ PSA ]:
103.35000
[ LogP ]:
4.07
[ Vapour Pressure ]:
0.0±1.3 mmHg at 25°C
[ Index of Refraction ]:
1.661
[ Storage condition ]:
-20°C Freezer
Toxicological Information
CHEMICAL IDENTIFICATION
- RTECS NUMBER :
- PC4952500
- CHEMICAL NAME :
- Methanone, (3,4-dihydroxy-5-nitrophenyl)(4-methylphenyl)-
- CAS REGISTRY NUMBER :
- 134308-13-7
- LAST UPDATED :
- 199709
- DATA ITEMS CITED :
- 8
- MOLECULAR FORMULA :
- C14-H11-N-O5
- MOLECULAR WEIGHT :
- 273.26
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 :
- >2 gm/kg
- TOXIC EFFECTS :
- Behavioral - somnolence (general depressed activity) Behavioral - ataxia Lungs, Thorax, or Respiration - respiratory depression
- REFERENCE :
- YACHDS Yakuri to Chiryo. Pharmacology and Therapeutics. (Raifu Saiensu Shuppan K.K., 2-5-13, Yaesu, Chuo-ku, Tokyo 104, Japan) V.1- 1972- Volume(issue)/page/year: 24(Suppl 10),S1513,199
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 1600 mg/kg
- TOXIC EFFECTS :
- Behavioral - somnolence (general depressed activity) Behavioral - ataxia Lungs, Thorax, or Respiration - respiratory depression
- REFERENCE :
- YACHDS Yakuri to Chiryo. Pharmacology and Therapeutics. (Raifu Saiensu Shuppan K.K., 2-5-13, Yaesu, Chuo-ku, Tokyo 104, Japan) V.1- 1972- Volume(issue)/page/year: 24(Suppl 10),S1513,199 ** OTHER MULTIPLE DOSE TOXICITY DATA **
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 9300 mg/kg/4W-I
- TOXIC EFFECTS :
- Liver - changes in liver weight Related to Chronic Data - death
- REFERENCE :
- YACHDS Yakuri to Chiryo. Pharmacology and Therapeutics. (Raifu Saiensu Shuppan K.K., 2-5-13, Yaesu, Chuo-ku, Tokyo 104, Japan) V.1- 1972- Volume(issue)/page/year: 24(Suppl 10),S1521,199
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 91 gm/kg/26W-C
- TOXIC EFFECTS :
- Nutritional and Gross Metabolic - weight loss or decreased weight gain
- REFERENCE :
- YACHDS Yakuri to Chiryo. Pharmacology and Therapeutics. (Raifu Saiensu Shuppan K.K., 2-5-13, Yaesu, Chuo-ku, Tokyo 104, Japan) V.1- 1972- Volume(issue)/page/year: 24(Suppl 10),S1557,199
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Mammal - dog
- DOSE/DURATION :
- 1120 mg/kg/4W-I
- TOXIC EFFECTS :
- Gastrointestinal - alteration in gastric secretion Kidney, Ureter, Bladder - other changes
- REFERENCE :
- YACHDS Yakuri to Chiryo. Pharmacology and Therapeutics. (Raifu Saiensu Shuppan K.K., 2-5-13, Yaesu, Chuo-ku, Tokyo 104, Japan) V.1- 1972- Volume(issue)/page/year: 24(Suppl 10),S1537,199
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Mammal - dog
- DOSE/DURATION :
- 25830 mg/kg/26W-I
- TOXIC EFFECTS :
- Gastrointestinal - hypermotility, diarrhea Gastrointestinal - nausea or vomiting
- REFERENCE :
- YACHDS Yakuri to Chiryo. Pharmacology and Therapeutics. (Raifu Saiensu Shuppan K.K., 2-5-13, Yaesu, Chuo-ku, Tokyo 104, Japan) V.1- 1972- Volume(issue)/page/year: 24(Suppl 10),S1585,199
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Mammal - dog
- DOSE/DURATION :
- 1760 mg/kg/15D-I
- TOXIC EFFECTS :
- Gastrointestinal - hypermotility, diarrhea Gastrointestinal - nausea or vomiting
- REFERENCE :
- YACHDS Yakuri to Chiryo. Pharmacology and Therapeutics. (Raifu Saiensu Shuppan K.K., 2-5-13, Yaesu, Chuo-ku, Tokyo 104, Japan) V.1- 1972- Volume(issue)/page/year: 24(Suppl 10),S1513,199 ** REPRODUCTIVE DATA **
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Oral
- DOSE :
- 3 gm/kg
- SEX/DURATION :
- female 6-15 day(s) after conception
- TOXIC EFFECTS :
- Reproductive - Maternal Effects - other effects
- REFERENCE :
- YACHDS Yakuri to Chiryo. Pharmacology and Therapeutics. (Raifu Saiensu Shuppan K.K., 2-5-13, Yaesu, Chuo-ku, Tokyo 104, Japan) V.1- 1972- Volume(issue)/page/year: 24(Suppl 10),S1631,199
Safety Information
[ Symbol ]:
GHS09
[ Signal Word ]:
Warning
[ Hazard Statements ]:
H400
[ Precautionary Statements ]:
P273
[ Hazard Codes ]:
N
[ Risk Phrases ]:
50
[ Safety Phrases ]:
61
[ RIDADR ]:
UN 3077 9 / PGIII
[ RTECS ]:
PC4952500
Synthetic Route
Precursor & DownStream
Precursor
DownStream
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