Chemical identity

cis-1,3-Dibenzylhexahydro-1H-thieno[3,4-d]imidazole-2,4-dione

CAS 171232-73-8 · C19H18N2O2S

01Identity

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

Lazychem IDLC-08302
PubChem CID10893119
Namecis-1,3-Dibenzylhexahydro-1H-thieno[3,4-d]imidazole-2,4-dione
CAS RN171232-73-8
Molecular formulaC19H18N2O2S
Molecular weight338.43 g/mol
IUPAC name(3aR,6aS)-1,3-dibenzyltetrahydro-1H-thieno[3,4-d]imidazole-2,4-dione
InChIKeyXJZIDYQGGLZUIO-IAGOWNOFSA-N

02Structure identifiers

2D structurePubChem CID 10893119
2D structure: cis-1,3-Dibenzylhexahydro-1H-thieno[3,4-d]imidazole-2,4-dione, CAS 171232-73-8
Structure of cis-1,3-Dibenzylhexahydro-1H-thieno[3,4-d]imidazole-2,4-dione (CAS 171232-73-8). LazyChem record. Source identity: PubChem CID 10893119. Confirm the identifiers before analytical use.Download structure image

Structure facts for this exact identity.

Molecular formulaC19H18N2O2S
InChIKeyXJZIDYQGGLZUIO-IAGOWNOFSA-N
Ring count4
Defined stereocentres2
Unassigned stereocentres0
SMILESC1[C@@H]2[C@H](C(=O)S1)N(C(=O)N2CC3=CC=CC=C3)CC4=CC=CC=C4
InChIInChI=1S/C19H18N2O2S/c22-18-17-16(13-24-18)20(11-14-7-3-1-4-8-14)19(23)21(17)12-15-9-5-2-6-10-15/h1-10,16-17H,11-13H2/t16-,17-/m1/s1

03Stereochemistry

The published structure contains 2 defined and 0 unassigned tetrahedral stereocentres. The exact wedge-and-dash depiction is shown above.

Defined stereocentres22D structure
Unassigned stereocentres02D structure
Assignment statusFully 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 171232-73-8 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 171232-73-8 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

  • Biotin Impurity 17
  • (3Ar,6aS)-1,3-dibenzyl-6,6a-dihydro-3aH-thieno[3,4-d]imidazole-2,4-dione
  • XJZIDYQGGLZUIO-IAGOWNOFSA-N
  • cis-(+/-)-Dihydro-1,3-bis(phenylmethyl)-1H-thieno[3,4-d]imidazole-2,4(3H,3aH)-dione

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