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Tolnidamine

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Name

Tolnidamine

EINECS N/A
CAS No. 50454-68-7 Density 1.34g/cm3
PSA 55.12000 LogP 3.74460
Solubility N/A 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 N/A Appearance N/A
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 N/A
Molecular Structure Molecular Structure of 50454-68-7 (Tolnidamine) Hazard Symbols N/A
Synonyms

Tolnidamine;1b,Indazole;AF 1923;Tolnidamide;

 

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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