Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
R-(-)-Clopidogrel Hydrogen Sulfate |
EINECS | N/A |
CAS No. | 120202-71-3 | Density | N/A |
PSA | 140.76000 | LogP | 4.03980 |
Solubility | N/A | Melting Point |
47-49°C |
Formula | C16H18ClNO6S2 | Boiling Point | 423.7 °C at 760 mmHg |
Molecular Weight | 419.90 | Flash Point | 210 °C |
Transport Information | N/A | Appearance | N/A |
Safety | 26-36/37/39-45 | Risk Codes | 34-41 |
Molecular Structure | Hazard Symbols | C,Xi | |
Synonyms |
(R)-(-)-Methyl 2-(2-Chlorophenyl)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetate Hydrogen Sulfate;SR 25989C; |
Article Data | 85 |
The R-(-)-Clopidogrel Hydrogen Sulfate, with its CAS registry number 120202-71-3, has the systematic name of methyl (2R)-(2-chlorophenyl)(6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl)ethanoate sulfate. With its molecular foumula of C16H18ClNO6S2, it has the formula weight of 419.90.
The characteristics of R-(-)-Clopidogrel Hydrogen Sulfate are as follows: (1)ACD/LogP: 4.23; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4; (4)ACD/LogD (pH 7.4): 4; (5)ACD/BCF (pH 5.5): 871; (6)ACD/BCF (pH 7.4): 970; (7)ACD/KOC (pH 5.5): 4292; (8)ACD/KOC (pH 7.4): 4781; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 57.78 Å2; (13)Flash Point: 210 °C; (14)Enthalpy of Vaporization: 67.81 kJ/mol; (15)Boiling Point: 423.7 °C at 760 mmHg; (16)Vapour Pressure: 2.19E-07 mmHg at 25°C.
What's more, the following datas could be converted into the molecular structure:
(1)SMILES:O=S(=O)(O)O.Clc1ccccc1[C@@H](N3Cc2c(scc2)CC3)C(=O)OC
(2)InChI:InChI=1/C16H16ClNO2S.H2O4S/c1-20-16(19)15(12-4-2-3-5-13(12)17)18-8-6-14-11(10-18)7-9-21-14;1-5(2,3)4/h2-5,7,9,15H,6,8,10H2,1H3;(H2,1,2,3,4)/t15-;/m1./s1
(3)InChIKey:FDEODCTUSIWGLK-XFULWGLBBQ
(4)Std. InChI:InChI=1S/C16H16ClNO2S.H2O4S/c1-20-16(19)15(12-4-2-3-5-13(12)17)18-8-6-14-11(10-18)7-9-21-14;1-5(2,3)4/h2-5,7,9,15H,6,8,10H2,1H3;(H2,1,2,3,4)/t15-;/m1./s1
(5)Std. InChIKey:FDEODCTUSIWGLK-XFULWGLBSA-N