Chemical identity

Racecadotril EP Impurity B / Thiorphan

CAS 76721-89-6 · C12H15NO3S

01Identity

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

Lazychem IDLC-26616
PubChem CID3132
NameRacecadotril EP Impurity B / Thiorphan
CAS RN76721-89-6
Molecular formulaC12H15NO3S
Molecular weight253.3 g/mol
IUPAC name[[(2RS)-2-benzyl-3-sulfanylpropanoyl]amino]acetic acid
InChIKeyLJJKNPQAGWVLDQ-UHFFFAOYSA-N

02Structure identifiers

2D structurePubChem CID 3132
2D structure: Racecadotril EP Impurity B / Thiorphan, CAS 76721-89-6
Structure of Racecadotril EP Impurity B / Thiorphan (CAS 76721-89-6). LazyChem record. Source identity: PubChem CID 3132. Confirm the identifiers before analytical use.Download structure image

Structure facts for this exact identity.

Molecular formulaC12H15NO3S
InChIKeyLJJKNPQAGWVLDQ-UHFFFAOYSA-N
Ring count1
Defined stereocentres0
Unassigned stereocentres1
SMILESC1=CC=C(C=C1)CC(CS)C(=O)NCC(=O)O
InChIInChI=1S/C12H15NO3S/c14-11(15)7-13-12(16)10(8-17)6-9-4-2-1-3-5-9/h1-5,10,17H,6-8H2,(H,13,16)(H,14,15)

03Stereochemistry

The published structure contains 0 defined and 1 unassigned tetrahedral stereocentre. The exact wedge-and-dash depiction is shown above.

Defined stereocentres02D structure
Unassigned stereocentres12D structure
Assignment statusUnassignedExact published identity
Tetrahedral upper bound≤ 2Before symmetry reduction

Published same-connectivity configurations

1 record

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.

No additional structure-linked configuration with the same connectivity is currently present in the LazyChem dataset.

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 76721-89-6 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 76721-89-6 was not found in the reviewed exact-CAS mapping. Generic and analogue entries were not evaluated.

05Names and relationships

Associated parent compound

Racecadotril

View API and impurity family

Other names

  • Racecadotril EP Impurity B
  • Thiorphan
  • dl-thiorphan
  • Glycine, N-(2-(mercaptomethyl)-1-oxo-3-phenylpropyl)-, (+-)-
  • Tiorphan
  • (3-Mercapto-2-benzylpropionyl)glycine
  • 2-[(2-benzyl-3-sulfanylpropanoyl)amino]acetic acid

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