Chemical identity

Scopine Di(2-thienylglycolate)-D3

CAS not listed · C18H19NO4S2

01Identity

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

Lazychem IDLC-32915
PubChem CID169446294
NameScopine Di(2-thienylglycolate)-D3
CAS RNNot listed
Molecular formulaC18H19NO4S2
Molecular weight380.5 g/mol
IUPAC name[(1S,4R,5R)-9-(trideuteriomethyl)-3-oxa-9-azatricyclo[3.3.1.02,4]nonan-7-yl] 2-hydroxy-2,2-dithiophen-2-ylacetate
InChIKeyVPJFFOQGKSJBAY-CSJLUHKSSA-N

02Structure identifiers

2D structurePubChem CID 169446294
Two-dimensional chemical structure of Scopine Di(2-thienylglycolate)-D3
Two-dimensional structure for the PubChem identity linked to this record. Confirm the identifiers before analytical use.

The parsed structure contains 5 rings, includes aromatic atoms, includes aliphatic carbon, has 3 defined stereocentres. These statements are calculated from the published structure string.

Defined stereocentres3
Unassigned stereocentres2
Ring count5
Secondary amines0
Tertiary amines1
N-methyl amine sites1
SMILES[2H]C([2H])([2H])N1[C@@H]2CC(C[C@H]1C3[C@@H]2O3)OC(=O)C(C4=CC=CS4)(C5=CC=CS5)O
InChINot listed
Formula from structureC18H19NO4S2
Molecular weight from structure380.5 g/mol

03Stereochemistry

The published structure contains 3 defined and 2 unassigned tetrahedral stereocentres. The exact wedge and dash depiction is shown above.

Defined centres3Structure assigned
Unassigned centres2Structure unspecified
Assignment statusPartially assignedExact published identity
Tetrahedral upper bound≤ 32Before symmetry reduction

Published same-connectivity configurations

3 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 FOUNDNo CAS number is available for an exact comparison.
SCOMETNO EXACT REVIEWED CAS MATCHNo CAS number is available for an exact comparison.
Review date2026-08-01Recheck the current official instruments for the material, concentration, activity and date in question.

05Names and relationships

Associated parent compound

No parent compound is listed.

Other names

No synonyms are listed.

Related records from the same parent family

No related records are linked by parent name.

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