(4R) -2-Oxoclopidogrel

CAT: 0926-RGC69648-01Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0926-RGC69648-01Size:100 mg

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CAS Number

1416696-48-4

Molecular Formula

C16H16ClNO3S

Molecular Weight

337.8 g/mol

Controlled

Chemical Information

Unii-0JQ0C159QQ

CAS Number	1416696-48-4
PubChem CID	71476885
IUPAC Name	methyl (2S)-2-[(7aR)-2-oxo-4,6,7,7a-tetrahydrothieno[3,2-c]pyridin-5-yl]-2-(2-chlorophenyl)acetate
Molecular Formula	C16H16ClNO3S
Molecular Weight	337.8
XLogP	2.6
Topological Polar Surface Area	71.9
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	4
Heavy Atom Count	22
Formal Charge	0
Complexity	496

SMILES

COC(=O)[C@H](C1=CC=CC=C1Cl)N2CC[C@@H]3C(=CC(=O)S3)C2

InChI

InChI=1S/C16H16ClNO3S/c1-21-16(20)15(11-4-2-3-5-12(11)17)18-7-6-13-10(9-18)8-14(19)22-13/h2-5,8,13,15H,6-7,9H2,1H3/t13-,15+/m1/s1

InChIKey

JBSAZVIMJUOBNB-HIFRSBDPSA-N

Chemical Structure

2D Structure

CAS: 1416696-48-4

CID: 71476885

Formula: C16H16ClNO3S

MW: 337.8

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	337.8
XLogP3	2.6
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	4
Exact Mass	337.0539422
Monoisotopic Mass	337.0539422
Topological Polar Surface Area	71.9 Å²
Heavy Atom Count	22
Formal Charge	0
Complexity	496
Isotope Atom Count	0
Defined Atom Stereocenter Count	2
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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