API and parent drug

Mebeverine

CAS 3625-06-7 · C25H35NO5 · 15 related records

01API identity and structure

2D structurePubChem CID 4031
Two-dimensional chemical structure of Mebeverine, CAS 3625-06-7
Two-dimensional structure for the PubChem identity linked to this record. Confirm the identifiers before analytical use.

The parsed structure contains 2 rings, includes aromatic atoms, includes aliphatic carbon. These statements are calculated from the published structure string.

API / medicine nameMebeverine
CAS RN3625-06-7
PubChem CID4031
Molecular formulaC25H35NO5
Molecular weight429.5 g/mol
IUPAC name4-[ethyl-[1-(4-methoxyphenyl)propan-2-yl]amino]butyl 3,4-dimethoxybenzoate
Defined stereocentres0
Unassigned stereocentres1
SMILESCCN(CCCCOC(=O)C1=CC(=C(C=C1)OC)OC)C(C)CC2=CC=C(C=C2)OC
InChINot listed
InChIKeyVYVKHNNGDFVQGA-UHFFFAOYSA-N

02Stereochemistry

The published structure contains 0 defined and 1 unassigned tetrahedral stereocentre. The exact wedge and dash depiction is shown above.

Defined centres0Structure assigned
Unassigned centres1Structure unspecified
Assignment statusUnassignedExact published identity
Tetrahedral upper bound≤ 2Before 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

This is a structure-only screen for the API. It does not predict manufacturing conditions, nitrite exposure, reaction kinetics or analytical results.

N-nitroso groupNot detected

Direct N-nitroso substructure search.

Secondary amineNot detected

A detected secondary amine is a structural alert that requires process-specific assessment.

Tertiary N-methyl amineNot detected

N-dealkylation can be relevant to impurity pathway assessment. A methyl group elsewhere in the molecule is not treated as a nitrosamine alert.

Interpretation: Formation potential cannot be concluded from structure alone. Review the synthesis, recovered solvents, amine reagents, nitrite sources, pH, temperature and purge controls.

04India status for this compound

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

NDPS / RCSNO EXACT MATCH FOUNDNo exact match for this compound is present in the reviewed record. Confirm against the current official schedule before making a regulatory decision.
SCOMETNO EXACT CAS MATCH FOUNDCAS 3625-06-7 does not have an exact match in the reviewed SCOMET entries.
Review date2026-08-01Check the current official instruments for the material, activity and date in question.

06Sources

  • S01
    PubChem compound record, CID 4031

    Structure, identifiers and machine-readable properties for the API identity.

  • S02
    NCBI website and molecular data policies

    Reuse policy for NCBI molecular data. Vendor descriptions and contributed narrative text are not reproduced.

  • S03
    Lazychem chemical records

    Parent-family links are exact normalized matches to the supplied parent field. Structural alerts are calculated from the published API structure.