Chemical identity

2-Oxo-R-Clopidogrel (Mixture of Diastereomers)

CAS 1360923-54-1 · C16H16ClNO3S

01Identity

Identifiers and names for this exact compound. Empty fields are left unassigned.

Lazychem IDLC-02092
PubChem CID68264179
Name2-Oxo-R-Clopidogrel (Mixture of Diastereomers)
CAS RN1360923-54-1
Molecular formulaC16H16ClNO3S
Molecular weight337.82 g/mol
IUPAC namemethyl (2R)-2-(2-chlorophenyl)-2-(2-oxo-2,6,7,7a-tetrahydrothieno[3,2-c]pyridin-5(4H)-yl)acetate
InChIKeyJBSAZVIMJUOBNB-AWKYBWMHSA-N

02Structure identifiers

2D structurePubChem CID 68264179
2D structure: 2-Oxo-R-Clopidogrel (Mixture of Diastereomers), CAS 1360923-54-1
Structure of 2-Oxo-R-Clopidogrel (Mixture of Diastereomers) (CAS 1360923-54-1). LazyChem record. Source identity: PubChem CID 68264179. Confirm the identifiers before analytical use.Download structure image

Structure facts for this exact identity.

Molecular formulaC16H16ClNO3S
InChIKeyJBSAZVIMJUOBNB-AWKYBWMHSA-N
Ring count3
Defined stereocentres1
Unassigned stereocentres1
SMILESCOC(=O)[C@@H](C1=CC=CC=C1Cl)N2CCC3C(=CC(=O)S3)C2
InChIInChI=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

03Stereochemistry

The published structure contains 1 defined and 1 unassigned tetrahedral stereocentres. The exact wedge-and-dash depiction is shown above.

Defined stereocentres12D structure
Unassigned stereocentres12D structure
Assignment statusPartially assignedExact published identity
Tetrahedral upper bound≤ 4Before symmetry reduction

Published same-connectivity configurations

2 records

These records have the same connectivity, molecular formula and protonation layer, but a different complete InChIKey stereochemical layer. Only separately structure-linked records are shown.

Scope: The mathematical 2^n value is only an upper bound. Symmetry and other stereogenic elements can change the number of distinct stereoisomers. A hypothetical configuration is not published as a compound record without a verified structure identity.

04India status for this compound

These results apply only to this exact compound name and CAS number. Confirm the current official instruments before making a regulatory decision.

NDPS / RCSNOT FOUND IN REVIEWED ENTRIESCAS 1360923-54-1 was not found in the reviewed exact-identity entries. Generic, class, analogue, salt and isomer provisions were not evaluated.
SCOMETNOT FOUND IN REVIEWED CAS ENTRIESCAS 1360923-54-1 was not found in the reviewed exact-CAS mapping. Generic and analogue entries were not evaluated.

05Names and relationships

Associated parent compound

Clopidogrel

View API and impurity family

Other names

  • Clopidogrel Impurity 86
  • Methyl (2R)-2-(2-chlorophenyl)-2-(2-oxo-2,6,7,7a-tetrahydrothieno[3,2-c]pyridin-5(4H)-yl)acetate
  • (2S)-Methyl 2-(2-chlorophenyl)-2-(2-oxo-7,7a-dihydrothieno[3,2-c]pyridin-5(2H,4H,6H)-yl)acetate
  • CS-0165240
  • (2R)-methyl 2-(2-chlorophenyl)-2-(2-oxo-7,7a-dihydrothieno[3,2-c]pyridin-5(2H,4H,6H)-yl)acetate? (Clopidogrel Impurity pound(c)

Related records from the same parent family

06Documented history

Dated discovery, occurrence, use and issue claims are published only when a suitable primary or government source is available.

No dated history available

No verified discovery, first report, occurrence, use or issue event is currently available for this identity.

07Sources