Chemical identity

3'N-Benzyl Biotin

CAS 57229-92-2 · C17H22N2O3S

01Identity

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

Lazychem IDLC-02771
PubChem CID11024117
Name3'N-Benzyl Biotin
CAS RN57229-92-2
Molecular formulaC17H22N2O3S
Molecular weight334.43 g/mol
IUPAC name5-((3aS,4S,6aR)-3-benzyl-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl)pentanoic acid
InChIKeyQHDPYNGBWBKNRO-DZKIICNBSA-N

02Structure identifiers

2D structurePubChem CID 11024117
Two-dimensional chemical structure of 3'N-Benzyl Biotin, CAS 57229-92-2
Two-dimensional structure for the PubChem identity linked to this record. Confirm the identifiers before analytical use.

The parsed structure contains 3 rings, includes aromatic atoms, includes aliphatic carbon, has 3 defined stereocentres. These statements are calculated from the published structure string.

Defined stereocentres3
Unassigned stereocentres0
Ring count3
Secondary amines0
Tertiary amines0
N-methyl amine sites0
SMILESC1[C@H]2[C@@H]([C@@H](S1)CCCCC(=O)O)N(C(=O)N2)CC3=CC=CC=C3
InChINot listed
Formula from structureC17H22N2O3S
Molecular weight from structure334.43 g/mol

03Stereochemistry

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

Defined centres3Structure assigned
Unassigned centres0Structure unspecified
Assignment statusFully assignedExact published identity
Tetrahedral upper bound≤ 8Before 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 / RCSNO EXACT MATCH FOUNDCAS 57229-92-2 has no exact match in the reviewed published schedule.
SCOMETNO EXACT REVIEWED CAS MATCHCAS 57229-92-2 has no exact match in the reviewed SCOMET list.
Review date2026-08-01Recheck the current official instruments for the material, concentration, activity and date in question.

05Names and relationships

Associated parent compound

Biotin

View API and impurity family

Other names

  • [3aS-(3aα,4β,6aα)]-Hexahydro-2-oxo-3-(phenylmethyl)-1H-thieno[3,4-d]imidazole-4-pentanoic Acid
  • 3'N-Benzyl Biotin
  • 57229-92-2
  • Biotin Impurity 5
  • (3aS,4S,6aR)-Hexahydro-2-oxo-3-(phenylmethyl)-1H-thieno[3,4-d]imidazole-4-pentanoic Acid
  • 1H-Thieno[3,4-d]imidazole-4-pentanoic acid, hexahydro-2-oxo-3-(phenylmethyl)-, [3aS-(3aa,4ss,6aa)]-
  • 5-[(3aS,4S,6aR)-1-Benzyl-2-oxohexahydrothieno[3,4-d]imidazol-4-yl]pentanoic Acid
  • 5-((3AS,4S,6aR)-3-benzyl-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl)pentanoic 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