-
Name
Tolnidamine
- EINECS
- CAS No. 50454-68-7
- Density 1.34g/cm3
- Solubility
- Melting Point 220°C (rough estimate)
- Formula C16H13ClN2O2
- Boiling Point 528.8°C at 760 mmHg
- Molecular Weight 300.76
- Flash Point 273.6°C
- Transport Information
- Appearance
- Safety Moderately toxic by ingestion and intraperitoneal routes. Experimental reproductive effects. When heated to decomposition it emits toxic fumes of Cl− and NOx.
- Risk Codes
-
Molecular Structure
- Hazard Symbols
- Synonyms Tolnidamine;1b,Indazole;AF 1923;Tolnidamide;
- PSA 55.12000
- LogP 3.74460
Tolnidamine Chemical Properties
Product Name: Tolnidamine (CAS NO.50454-68-7)
Molecular Formula: C16H13ClN2O2
Molecular Weight: 300.76g/mol
Mol File: 50454-68-7.mol
Boiling point: 528.8 °C at 760 mmHg
Flash Point: 273.6 °C
Density: 1.34 g/cm3
Surface Tension: 50.2 dyne/cm
Enthalpy of Vaporization: 84.6 kJ/mol
Vapour Pressure: 5.19E-12 mmHg at 25°C
XLogP3-AA: 4
H-Bond Donor: 1
H-Bond Acceptor: 3
Structure Descriptors of Tolnidamine (CAS NO.50454-68-7):
IUPAC Name: 1-[(4-chloro-2-methylphenyl)methyl]indazole-3-carboxylic acid
Canonical SMILES: CC1=C(C=CC(=C1)Cl)CN2C3=CC=CC=C3C(=N2)C(=O)O
InChI: InChI=1S/C16H13ClN2O2/c1-10-8-12(17)7-6-11(10)9-19-14-5-3-2-4-13(14)15(18-19)16(20)21/h2-8H,9H2,1H3,(H,20,21)
InChIKey: IWKDFIXLGQOEKD-UHFFFAOYSA-N
Tolnidamine Toxicity Data With Reference
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| mouse | LD50 | intraperitoneal | 575mg/kg (575mg/kg) | SENSE ORGANS AND SPECIAL SENSES: LACRIMATION: EYE SENSE ORGANS AND SPECIAL SENSES: PTOSIS: EYE BEHAVIORAL: CHANGES IN MOTOR ACTIVITY (SPECIFIC ASSAY) | Chemotherapy Vol. 27(Suppl, |
| mouse | LD50 | oral | 1250mg/kg (1250mg/kg) | SENSE ORGANS AND SPECIAL SENSES: LACRIMATION: EYE SENSE ORGANS AND SPECIAL SENSES: PTOSIS: EYE BEHAVIORAL: CHANGES IN MOTOR ACTIVITY (SPECIFIC ASSAY) | Chemotherapy Vol. 27(Suppl, |
| rat | LD50 | intraperitoneal | 1120mg/kg (1120mg/kg) | SENSE ORGANS AND SPECIAL SENSES: LACRIMATION: EYE SENSE ORGANS AND SPECIAL SENSES: PTOSIS: EYE BEHAVIORAL: CHANGES IN MOTOR ACTIVITY (SPECIFIC ASSAY) | Chemotherapy Vol. 27(Suppl, |
| rat | LD50 | oral | 4gm/kg (4000mg/kg) | SENSE ORGANS AND SPECIAL SENSES: LACRIMATION: EYE SENSE ORGANS AND SPECIAL SENSES: PTOSIS: EYE BEHAVIORAL: CHANGES IN MOTOR ACTIVITY (SPECIFIC ASSAY) | Chemotherapy Vol. 27(Suppl, |
Tolnidamine Safety Profile
Moderately toxic by ingestion and intraperitoneal routes. Experimental reproductive effects. When heated to decomposition it emits toxic fumes of Cl− and NOx.
Tolnidamine Specification
Tolnidamine ,its CAS NO. is 50454-68-7,the synonyms is 1-((2-Methyl-4-chlorophenyl)methyl)-indazole-3-carboxylic acid ; 1-((4-Chloro-2-methylphenyl)methyl)-1H-indazole-3-carboxylic acid ; 1-(4-Chloro-2-methylbenzyl)-1H-indazole-3-carboxylic acid ; 1H-Indazole-3-carboxylic acid, 1-((2-methyl-4-chlorophenyl)methyl)- ; 1b, Indazole ; 5-25-04-00250 (Beilstein Handbook Reference) ; AF 1923 ; BRN 0893287 ; NSC 283448 ; Tolnidaminum ; UNII-Z5M7SC6D5P .
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