API and parent drug

Trospium

CAS 47608-32-2 · C25H30NO3+ · 1 related records

01API identity and structure

2D structurePubChem CID 5284632
2D structure: Trospium, CAS 47608-32-2
Structure of Trospium (CAS 47608-32-2). LazyChem record. Source identity: PubChem CID 5284632. Confirm the identifiers before analytical use.Download structure image
API / medicine nameTrospium
CAS RN47608-32-2
PubChem CID5284632
Molecular formulaC25H30NO3+
Molecular weight392.5 g/mol
IUPAC name[(1R,5S)-spiro[8-azoniabicyclo[3.2.1]octane-8,1'-azolidin-1-ium]-3-yl] 2-hydroxy-2,2-diphenylacetate
Defined stereocentres2
Unassigned stereocentres1
SMILESC1CC[N+]2(C1)[C@@H]3CC[C@H]2CC(C3)OC(=O)C(C4=CC=CC=C4)(C5=CC=CC=C5)O
InChINot listed
InChIKeyOYYDSUSKLWTMMQ-AIZNXBIQSA-N

02Stereochemistry

The published structure contains 2 defined and 1 unassigned tetrahedral stereocentres. The exact wedge-and-dash depiction is shown above.

Defined stereocentres22D structure
Unassigned stereocentres12D structure
Assignment statusPartially 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.

03Structural nitrosamine screen

Record-level resultNo candidate is published

No record-level structural candidate is currently published for this identity.

This result does not predict manufacturing conditions, formation, analytical findings or absence of risk. A process-specific assessment is required.

04India status for this compound

The result below applies only to this exact compound identity and CAS number.

NDPS / RCSNOT FOUND IN REVIEWED ENTRIESNo exact reviewed identity entry was found. Generic, class, analogue, salt and isomer provisions were not evaluated. Confirm the current official schedule before a regulatory decision.
SCOMETNOT FOUND IN REVIEWED CAS ENTRIESCAS 47608-32-2 was not found in the reviewed exact-CAS mapping. Generic and analogue entries were not evaluated.

06Sources