Chemical identity

Biotin EP Impurity B

CAS 57671-79-1 · C11H16N2O5S

01Identity

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

Lazychem IDLC-08295
PubChem CID22865898
NameBiotin EP Impurity B
CAS RN57671-79-1
Molecular formulaC11H16N2O5S
Molecular weight288.32 g/mol
IUPAC name2-(3-((3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl)propyl)malonic acid
InChIKeyXWJBVGZSIAZDKJ-FXQIFTODSA-N

02Structure identifiers

2D structurePubChem CID 22865898
2D structure: Biotin EP Impurity B, CAS 57671-79-1
Structure of Biotin EP Impurity B (CAS 57671-79-1). LazyChem record. Source identity: PubChem CID 22865898. Confirm the identifiers before analytical use.Download structure image

Structure facts for this exact identity.

Molecular formulaC11H16N2O5S
InChIKeyXWJBVGZSIAZDKJ-FXQIFTODSA-N
Ring count2
Defined stereocentres3
Unassigned stereocentres0
SMILESC1[C@H]2[C@@H]([C@@H](S1)CCCC(C(=O)O)C(=O)O)NC(=O)N2
InChIInChI=1S/C11H16N2O5S/c14-9(15)5(10(16)17)2-1-3-7-8-6(4-19-7)12-11(18)13-8/h5-8H,1-4H2,(H,14,15)(H,16,17)(H2,12,13,18)/t6-,7-,8-/m0/s1

03Stereochemistry

The published structure contains 3 defined and 0 unassigned tetrahedral stereocentres. The exact wedge-and-dash depiction is shown above.

Defined stereocentres32D structure
Unassigned stereocentres02D structure
Assignment statusFully assignedExact published identity
Tetrahedral upper bound≤ 8Before 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 57671-79-1 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 57671-79-1 was not found in the reviewed exact-CAS mapping. Generic and analogue entries were not evaluated.

05Names and relationships

Associated parent compound

Biotin

View API and impurity family

Other names

  • 4-[(3aS,4S,6aR)-2-Oxohexahydrothieno[3,4-d]imidazol-4-yl]butane-1,1-dicarboxylic Acid
  • Biotin Diacid
  • 2-(3-((3aS,4S,6aR)-2-Oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl)propyl)malonic acid
  • 2-[3-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]propyl]propanedioic acid
  • Biotin Impurity B
  • 2-{3-[(3aS,4S,6aR)-2-oxo-hexahydro-1H-thieno[3,4-d]imidazol-4-yl]propyl}propanedioic acid
  • FB18609
  • 2-[3-[(3aS,4S,6aR)-Hexahydro-2-oxo-1H-thieno[3,4-d]imidazol-4-yl]propyl]propanedioic 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