rac-Clopidogrel Hydrogen Sulfate

Basic Information

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CAS Number

135046-48-9

Molecular Formula

C16H18ClNO6S2

Molecular Weight

419.91 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Esters

Basic Chemical Raw Materials Organic Chemicals Ethers

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Agricultural Chemicals Pesticides Herbicides

Laboratory Chemicals Research Chemicals Biochemical Reagents

Basic Physical Properties

Physical State

Powder

Melting Point

184 ºC

Boiling Point

447.3°C at 760 mmHg

Solubility

DMSO: ~26mg/mL

Specific Rotation

D20 +55.10° (c = 1.891 in methanol)

SMILES

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COC(=O)C(C1=CC=CC=C1Cl)N2CCC3=C(C2)C=CS3.OS(=O)(=O)O

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)

InChIKey

FDEODCTUSIWGLK-UHFFFAOYSA-N

LogP

3.0211000000000006

Topological Polar Surface Area

104.14 Å²

Hydrogen Bond Donor/Acceptor

2 / 7

Complexity

463

Safety Information

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Hazard Statement

H300 Fatal if swallowed
Acute toxicity, oral

H314 Causes severe skin burns and eye damage
Skin corrosion/irritation

H411 Toxic to aquatic life with long lasting effects
Hazardous to the aquatic environment, long-term hazard

Hazard Class

Class IRRITANT Class IRRITANT

Synonyms & References

English

(+/-) Clopidogrel hydrogensulfate, >=98% (HPLC), powder
Clopidogrel hydrogensulfate
CS-0030751
MFCD00876395
DTXSID4046024
SCHEMBL2307984
(+/-) Clopidogrel hydrogensulfate
135046-48-9
(S)-(+)-Clopidogrel hydrogen sulfate
(+/-)-Clopidogrel bisulfate
( inverted exclamation markA) Clopidogrel hydrogen sulfate
(s)-(+)-clopidogrel bisulfate
AKOS005146215
J-004276
F19458
FT-0665128
A855057
NCGC00163329-03
(+)-methyl (2-chlorophenyl)-(6,7-dihydro-4h-thieno[3,2-c]pyrid-5-yl)acetate bisulfate salt
FT-0665127
CAS-135046-48-9
Clopidogrelhydrogensulfate
BCP04255
Clopidogrel Sulfate (racemic)
HMS3654H06
methyl2-(2-chlorophenyl)-2-(6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl)acetatesulfate
NCGC00095065-02
NCGC00159321-02
methyl 2-(2-chlorophenyl)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetate;sulfuric acid
HY-107867
135046-48-9 (sulfate)

MDL Number

MFCD05865229

FAQ

What is rac-Clopidogrel Hydrogen Sulfate (CAS: 135046-48-9)?

Rac-Clopidogrel Hydrogen Sulfate (CAS: 135046-48-9) is a racemic mixture of Clopidogrel, an antiplatelet medication. Its chemical formula is C19H18N2O4S2·H2SO4, and it is a white crystalline powder with good solubility in water. It is commonly used as an intermediate in drug synthesis and pharmaceutical research due to its stability and bioavailability.

What are the main uses of rac-Clopidogrel Hydrogen Sulfate (CAS: 135046-48-9)?

Rac-Clopidogrel Hydrogen Sulfate (CAS: 135046-48-9) is primarily used in pharmaceutical manufacturing as a precursor for producing Clopidogrel, which prevents blood clots. It also serves in research for studying antiplatelet mechanisms and in industrial applications for developing similar cardiovascular drugs. Its utility lies in its role as an active pharmaceutical ingredient (API) and chemical intermediate.

Is rac-Clopidogrel Hydrogen Sulfate (CAS: 135046-48-9) safe?

Rac-Clopidogrel Hydrogen Sulfate (CAS: 135046-48-9) is generally safe when handled properly. However, it requires caution during use, as it may cause irritation if inhaled or contacted with skin. Safety standards emphasize adherence to chemical handling protocols, including use of gloves and ventilation. Proper disposal is essential to avoid environmental contamination.

How should rac-Clopidogrel Hydrogen Sulfate (CAS: 135046-48-9) be stored?

Rac-Clopidogrel Hydrogen Sulfate (CAS: 135046-48-9) should be stored in a cool, dry place (2-8°C), away from light and moisture. Keep in a sealed, airtight container to maintain stability and prevent degradation. Avoid exposure to incompatible substances and ensure storage complies with pharmaceutical-grade safety requirements.