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57381-26-7

Basic Information
CAS No.: 57381-26-7
Name: Irsogladine
Article Data: 3
Molecular Structure:
Molecular Structure of 57381-26-7 (Irsogladine)
Formula: C9H7Cl2N5
Molecular Weight: 256.094
Synonyms: 2,4-Diamino-6-(2,5-dichlorophenyl)-1,3,5-triazine;2,4-Diamino-6-(2,5-dichlorophenyl)-s-triazine;Dicloguamine;Irsogladine;
Density: 1.572 g/cm3
Melting Point: 268-269 °C
Boiling Point: 552.2 °C at 760 mmHg
Flash Point: 287.8 °C
Appearance: white or colorless crystal or crystalline powder, odorless, slightly bitter
Hazard Symbols: Xn,N
Risk Codes: R20; R51/53
PSA: 90.71000
LogP: 3.17220
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Chemistry

IUPAC Name: 6-(2,5-Dichlorophenyl)-1,3,5-triazine-2,4-diamine
Following is the structure of 1,3,5-Triazine-2,4-diamine,6-(2,5-dichlorophenyl)- (CAS NO.57381-26-7):
              
Molecular Formula: C9H7Cl2N5 
Molecular Weight: 256.09
H bond acceptors:  5
H bond donors:  4
Freely Rotating Bonds:  1
Polar Surface Area:  45.15 Å2
Index of Refraction:  1.706
Molar Refractivity:  63.38 cm3
Molar Volume:  162.8 cm3
Density: 1.572 g/cm3
Flash Point:  287.8 °C
Melting Point: 268-269 °C
Surface Tension:  79.6 dyne/cm
Enthalpy of Vaporization:  83.27 kJ/mol
Boiling Point:  552.2 °C at 760 mmHg
Vapour Pressure:  3.07E-12 mmHg at 25 °C
Appearance: white or colorless crystal or crystalline powder, odorless, slightly bitter.
Solubility of 1,3,5-Triazine-2,4-diamine,6-(2,5-dichlorophenyl)- (CAS NO.57381-26-7): Slightly soluble in methanol, ethanol, anhydrous acetic acid or methyl acetate, very slightly soluble in ethyl acetate or ether, insoluble in chloroform or water.
Product Categories of 1,3,5-Triazine-2,4-diamine,6-(2,5-dichlorophenyl)- (CAS NO.57381-26-7): Active Pharmaceutical Ingredients
SMILES: Clc1cc(c(Cl)cc1)c2nc(nc(n2)N)N
InChI: InChI=1/C9H7Cl2N5/c10-4-1-2-6(11)5(3-4)7-14-8(12)16-9(13)15-7/h1-3H,(H4,12,13,14,15,16)
InChIKey: ATCGGEJZONJOCL-UHFFFAOYAP
Std. InChI: InChI=1S/C9H7Cl2N5/c10-4-1-2-6(11)5(3-4)7-14-8(12)16-9(13)15-7/h1-3H,(H4,12,13,14,15,16)
Std. InChIKey: ATCGGEJZONJOCL-UHFFFAOYSA-N

Uses

 1,3,5-Triazine-2,4-diamine,6-(2,5-dichlorophenyl)- (CAS NO.57381-26-7) is used for peptic ulcer disease.

Toxicity Data With Reference

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LD50 intraperitoneal 1740mg/kg (1740mg/kg)   United States Patent Document. Vol. 4657907,

Specification

 1,3,5-Triazine-2,4-diamine,6-(2,5-dichlorophenyl)- , its cas register number 57381-26-7. It also can be called 6-(2,5-Dichlorophenyl)-1,3,5-triazine-2,4-diamine ; Irsogladine ; 2,4-Diamino-6-(2,5-dichlorophenyl)-1,3,5-triazine .