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Clopidogrel bisulfate(CAS No. 120202-66-6)

Clopidogrel bisulfate C16H18ClNO6S2 (cas 120202-66-6) Molecular Structure

120202-66-6 Structure

Identification and Related Records

【Name】
Clopidogrel bisulfate
【CAS Registry number】
120202-66-6
【Synonyms】
Thieno(3,2-c)pyridine-5(4H)-acetic acid, alpha-(2-chlorophenyl)-6,7-dihydro-, methyl ester, (S)-, sulfate (1:1)
Plavix
Methyl (+)-(S)-alpha-(o-chlorophenyl)-6,7-dihydrothieno(3,2-c)pyridine-5(4H)-acetate, sulfate (1:1)
Methyl alphaS-(2-chlorophenyl)-6,7-dihydrothieno(3,2-c)pyridine-5(4H)-acetate sulfate (1:1)
Iscover
(S)-( )-Methyl (2-chlorophenyl)(6,7-dihydro-4H-thieno(3,2-c)pyrid-5-yl)acetate bisulfate
Clopidogrel hemisulfate
【Molecular Formula】
C16H18ClNO6S2 (Products with the same molecular formula)
【Molecular Weight】
419.90022 [g/mol]
【Inchi】
InChI=1/C15H14ClNO2S.H2O4S/c16-12-4-2-1-3-11(12)14(15(18)19)17-7-5-13-10(9-17)6-8-20-13;1-5(2,3)4/h1-4,6,8,14H,5,7,9H2,(H,18,19);(H2,1,2,3,4)/t14-;/m0./s1
【InChIKey】
FDEODCTUSIWGLK-RSAXXLAASA-N
【Canonical SMILES】
COC(=O)C(C1=CC=CC=C1Cl)N2CCC3=C(C2)C=CS3.OS(=O)(=O)O
【Isomers smiles】
COC(=O)[C@H](C1=CC=CC=C1Cl)N2CCC3=C(C2)C=CS3.OS(=O)(=O)O
【MOL File】
120202-66-6.mol

Chemical and Physical Properties

【Melting Point】
184℃
【Boiling Point】
423.7 °C at 760 mmHg
【Flash Point】
210 °C
【Color/Form】
white
【Storage temp】
2-8°C
【Computed Properties】
Molecular Weight:419.90022 [g/mol]
Molecular Formula:C16H18ClNO6S2
H-Bond Donor:2
H-Bond Acceptor:8
Rotatable Bond Count:4
Exact Mass:419.026406
MonoIsotopic Mass:419.026406
Topological Polar Surface Area:141
Heavy Atom Count:26
Formal Charge:0
Complexity:463
Isotope Atom Count:0
Defined Atom Stereocenter Count:1
Undefined Atom Stereocenter Count:0
Defined Bond Stereocenter Count:0
Undefined Bond Stereocenter Count:0
Covalently-Bonded Unit Count:2

Safety and Handling

【Safety Statements 】
22-24/25
【HazardClass】
8
【Safety】

Safety Statements: 22-24/25?
S22:Do not breathe dust.?
S24/25:Avoid contact with skin and eyes.
RIDADR: 1759
WGK Germany: 3
HazardClass: 8
PackingGroup: II

【PackingGroup 】
II
【Transport】
1759
【Specification】

?Clopidogrel Bisulfate , its cas register number is . It also can be called? Clopidogrel Bisulfate [USAN] ; (S)-( )-Methyl (2-chlorophenyl)(6,7-dihydro-4H-thieno(3,2-c)pyrid-5-yl)acetate bisulfate ; Clopidogrel hemisulfate ; Clopidogrel hydrogen sulfate ; Iscover ; Methyl (+)-(S)-alpha-(o-chlorophenyl)-6,7-dihydrothieno(3,2-c)pyridine-5(4H)-acetate, sulfate (1:1) ; Methyl alphaS-(2-chlorophenyl)-6,7-dihydrothieno(3,2-c)pyridine-5(4H)-acetate sulfate (1:1) ; Plavix ; Thieno(3,2-c)pyridine-5(4H)-acetic acid, alpha-(2-chlorophenyl)-6,7-dihydro-, methyl ester, (S)-, sulfate (1:1) ; Thieno(3,2-c)pyridine-5(4H)-acetic acid, alpha-(2-chlorophenyl)-6,7-dihydro-, methyl ester, (alphaS)-, sulfate (1:1) .

Biomedical Effects and Toxicity

【Pharmacological Action】
- Drugs or agents which antagonize or impair any mechanism leading to blood platelet aggregation, whether during the phases of activation and shape change or following the dense-granule release reaction and stimulation of the prostaglandin-thromboxane system.
- Compounds that bind to and block the stimulation of PURINERGIC P2Y RECEPTORS. Included under this heading are antagonists for specific P2Y receptor subtypes.

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