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4-Oxo Ticlopidine

CAT: 0572-TRC-O864410-750MGSize: 750 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-O864410-750MGSize:750 mg
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CAS Number
68559-55-7
Synonyms
5-(2-Chlorobenzyl)-6,7-dihydrothieno[3,2-c]pyridin-4(5H)-one; Ticlopidine Hydrochloride Imp. L (EP); Ticlopidine Imp. L (EP); Ticlopidine USP Related Compound B; Ticlopidine USP RC B; Ticlopidine Related Compound B; Ticlopidine Hydrochloride Impurity L; Ticlopidine Impurity L
Hazard Statement
No Data Available
Smiles
Clc1ccccc1CN2CCc3sccc3C2=O
Molecular Formula
C14 H12 Cl N O S
Molecular Weight
277.77
InChI
InChI=1S/C14H12ClNOS/c15-12-4-2-1-3-10(12)9-16-7-5-13-11(14(16)17)6-8-18-13/h1-4,6,8H,5,7,9H2
Additionnal Information
IUPAC name: 5-[(2-chlorophenyl)methyl]-6,7-dihydrothieno[3,2-c]pyridin-4-one
Shipping Conditions
Room Temperature

Chemical Information

4-Oxo ticlopidine
CAS Number68559-55-7
PubChem CID20346859
IUPAC Name5-[(2-chlorophenyl)methyl]-6,7-dihydrothieno[3,2-c]pyridin-4-one
Molecular FormulaC14H12ClNOS
Molecular Weight277.8
XLogP3.3
Topological Polar Surface Area48.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Heavy Atom Count18
Formal Charge0
Complexity325
SMILES
C1CN(C(=O)C2=C1SC=C2)CC3=CC=CC=C3Cl
InChI
InChI=1S/C14H12ClNOS/c15-12-4-2-1-3-10(12)9-16-7-5-13-11(14(16)17)6-8-18-13/h1-4,6,8H,5,7,9H2
InChIKey
KQQBLQBNIVSMLU-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-Oxo ticlopidine
CAS: 68559-55-7
CID: 20346859
Formula: C14H12ClNOS
MW: 277.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight277.8
XLogP33.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Exact Mass277.0328129
Monoisotopic Mass277.0328129
Topological Polar Surface Area48.6 Ų
Heavy Atom Count18
Formal Charge0
Complexity325
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

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