API and parent drug

Marbofloxacin

CAS 115550-35-1 · C17H19FN4O4 · 7 related records

01API identity and structure

2D structurePubChem CID 60651
Two-dimensional chemical structure of Marbofloxacin, CAS 115550-35-1
Two-dimensional structure for the PubChem identity linked to this record. Confirm the identifiers before analytical use.

The parsed structure contains 4 rings, includes aromatic atoms, includes aliphatic carbon, contains at least one halogen atom. These statements are calculated from the published structure string.

API / medicine nameMarbofloxacin
CAS RN115550-35-1
PubChem CID60651
Molecular formulaC17H19FN4O4
Molecular weight362.4 g/mol
IUPAC name7-fluoro-2-methyl-6-(4-methylpiperazin-1-yl)-10-oxo-4-oxa-1,2-diazatricyclo[7.3.1.05,13]trideca-5(13),6,8,11-tetraene-11-carboxylic acid
Defined stereocentres0
Unassigned stereocentres0
SMILESCN1CCN(CC1)C2=C(C=C3C4=C2OCN(N4C=C(C3=O)C(=O)O)C)F
InChINot listed
InChIKeyBPFYOAJNDMUVBL-UHFFFAOYSA-N

02Structural 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 amine2 N-methyl sites

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.

03India 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 115550-35-1 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.

05Sources

  • S01
    PubChem compound record, CID 60651

    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.