Product Name

  • Name

    (+/-)-CLOPIDOGREL HYDROCHLORIDE

  • EINECS
  • CAS No. 90055-48-4
  • Article Data33
  • CAS DataBase
  • Density 1.317g/cm3
  • Solubility
  • Melting Point
  • Formula C16H16ClNO2S
  • Boiling Point 423.7 °C at 760 mmHg
  • Molecular Weight 321.828
  • Flash Point 210 °C
  • Transport Information
  • Appearance
  • Safety
  • Risk Codes
  • Molecular Structure Molecular Structure of 90055-48-4 ((+/-)-CLOPIDOGREL HYDROCHLORIDE)
  • Hazard Symbols
  • Synonyms 2-(2-Chlorophenyl)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetic acidmethyl ester;Methyl 2-(4,5,6,7-tetrahydrothieno[3,2-c]pyridin-5-yl)-2-(2-chlorophenyl)acetate;94188-84-8;
  • PSA 68.78000
  • LogP 4.32540

Thieno[3,2-c]pyridine-5(4H)-aceticacid, a-(2-chlorophenyl)-6,7-dihydro-,methyl ester Specification

The Thieno[3,2-c]pyridine-5(4H)-aceticacid, a-(2-chlorophenyl)-6,7-dihydro-,methyl ester, with CAS registry number 90055-48-4, has the systematic name of methyl (2-chlorophenyl)(6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl)acetate. Its classification codes are Hematologic Agents and Platelet Aggregation Inhibitors. And the chemical formula of this chemical is C16H16ClNO2S.

Physical properties of Thieno[3,2-c]pyridine-5(4H)-aceticacid, a-(2-chlorophenyl)-6,7-dihydro-,methyl ester: (1)ACD/LogP: 4.23; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.19; (4)ACD/LogD (pH 7.4): 4.23; (5)ACD/BCF (pH 5.5): 871.29; (6)ACD/BCF (pH 7.4): 970.38; (7)ACD/KOC (pH 5.5): 4292.33; (8)ACD/KOC (pH 7.4): 4780.51; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 57.78 Å2; (13)Index of Refraction: 1.617; (14)Molar Refractivity: 85.48 cm3; (15)Molar Volume: 244.3 cm3; (16)Polarizability: 33.88×10-24cm3; (17)Surface Tension: 52.7 dyne/cm; (18)Enthalpy of Vaporization: 67.81 kJ/mol; (19)Vapour Pressure: 2.19E-07 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Clc1ccccc1C(N3Cc2c(scc2)CC3)C(=O)OC
(2)InChI: InChI=1/C16H16ClNO2S/c1-20-16(19)15(12-4-2-3-5-13(12)17)18-8-6-14-11(10-18)7-9-21-14/h2-5,7,9,15H,6,8,10H2,1H3
(3)InChIKey: GKTWGGQPFAXNFI-UHFFFAOYAV
(4)Std. InChI: InChI=1S/C16H16ClNO2S/c1-20-16(19)15(12-4-2-3-5-13(12)17)18-8-6-14-11(10-18)7-9-21-14/h2-5,7,9,15H,6,8,10H2,1H3
(5)Std. InChIKey: GKTWGGQPFAXNFI-UHFFFAOYSA-N

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