-
Name
Tomoxiprole
- EINECS
- CAS No. 76145-76-1
- Article Data1
- CAS DataBase
- Density 1.178g/cm3
- Solubility
- Melting Point 160.5°C
- Formula C21H20 N2 O
- Boiling Point 529.1°C at 760 mmHg
- Molecular Weight 316.43
- Flash Point 186.5°C
- Transport Information
- Appearance
- Safety Moderately toxic by intraperitoneal route. Mildly toxic by ingestion. An anti-inflammatory and analgesic agent. When heated to decomposition it emits toxic fumes of NOx.
- Risk Codes
-
Molecular Structure
- Hazard Symbols
- Synonyms MDL 035;Tomoxiprole
- PSA 27.05000
- LogP 5.44600
Tomoxiprole Chemical Properties
Product Name: Tomoxiprole (CAS NO.76145-76-1)
Molecular Formula: C21H20N2O
Molecular Weight: 316.43g/mol
Mol File: 76145-76-1.mol
Boiling point: 529.1 °C at 760 mmHg
Flash Point: 186.5 °C
Density: 1.178 g/cm3
Surface Tension: 49.8 dyne/cm
Enthalpy of Vaporization: 80.4 kJ/mol
Vapour Pressure: 2.8E-11 mmHg at 25°C
XLogP3-AA: 5.5
H-Bond Donor: 1
H-Bond Acceptor: 2
Structure Descriptors of Tomoxiprole (CAS NO.76145-76-1):
IUPAC Name: 2-(4-methoxyphenyl)-4-propan-2-yl-1H-benzo[e]benzimidazole
Canonical SMILES: CC(C)C1=CC2=CC=CC=C2C3=C1N=C(N3)C4=CC=C(C=C4)OC
InChI: InChI=1S/C21H20N2O/c1-13(2)18-12-15-6-4-5-7-17(15)19-20(18)23-21(22-19)14-8-10-16(24-3)11-9-14/h4-13H,1-3H3,(H,22,23)
InChIKey: ZFRQMIPKEPUCBX-UHFFFAOYSA-N
Tomoxiprole Toxicity Data With Reference
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| dog | LD50 | intraperitoneal | 1500mg/kg (1500mg/kg) | Drugs of the Future. Vol. 10, Pg. 133, 1985. | |
| dog | LD50 | oral | > 5gm/kg (5000mg/kg) | Drugs of the Future. Vol. 10, Pg. 133, 1985. | |
| mouse | LD50 | intraperitoneal | 1500mg/kg (1500mg/kg) | Drugs of the Future. Vol. 10, Pg. 133, 1985. | |
| mouse | LD50 | oral | > 5gm/kg (5000mg/kg) | Drugs of the Future. Vol. 10, Pg. 133, 1985. | |
| rat | LD50 | intraperitoneal | 1500mg/kg (1500mg/kg) | Drugs of the Future. Vol. 10, Pg. 133, 1985. | |
| rat | LD50 | oral | 15gm/kg (15000mg/kg) | European Journal of Drug Metabolism and Pharmacokinetics. Vol. 10, Pg. 161, 1985. |
Tomoxiprole Safety Profile
Moderately toxic by intraperitoneal route. Mildly toxic by ingestion. An anti-inflammatory and analgesic agent. When heated to decomposition it emits toxic fumes of NOx.
Tomoxiprole Specification
Tomoxiprole ,its CAS NO. is 76145-76-1,the synonyms is 2-(4-Methoxyphenyl)-3-(1-methylethyl)-3H-naphth(1,2-d)imidazole ; 3-Isopropyl-2-(p-methoxyphenyl)-3H-naphth(1,2-d)imidazole ; BRN 5975068 ; MDL-035 ; Tomoxiprol ; Tomoxiprole ; Tomoxiprolum ; UNII-EZ948T2878 ; 3H-Naphth(1,2-d)imidazole, 2-(4-methoxyphenyl)-3-(1-methylethyl)- .
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