API and parent drug

Dabigatran

CAS 211914-51-1 · C25H25N7O3 · 39 related records

01API identity and structure

Two-dimensional chemical structure of Dabigatran, CAS 211914-51-1 — 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. These statements are calculated from the published structure string.

API / medicine name	Dabigatran
CAS RN	211914-51-1
PubChem CID	216210
Molecular formula	C25H25N7O3
Molecular weight	471.5 g/mol
IUPAC name	3-[[2-[(4-carbamimidoylanilino)methyl]-1-methylbenzimidazole-5-carbonyl]-pyridin-2-ylamino]propanoic acid
Defined stereocentres	0
Unassigned stereocentres	0

SMILES	CN1C2=C(C=C(C=C2)C(=O)N(CCC(=O)O)C3=CC=CC=N3)N=C1CNC4=CC=C(C=C4)C(=N)N
InChI	Not listed
InChIKey	YBSJFWOBGCMAKL-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 amine1 site

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.

03India status for this compound

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

NDPS / RCS	NO EXACT MATCH FOUND	No exact match for this compound is present in the reviewed record. Confirm against the current official schedule before making a regulatory decision.
SCOMET	NO EXACT CAS MATCH FOUND	CAS 211914-51-1 does not have an exact match in the reviewed SCOMET entries.
Review date	2026-08-01	Check the current official instruments for the material, activity and date in question.

Narcotic Drugs and Psychotropic Substances Act, 1985, ScheduleDepartment of Revenue, Government of India
Controlled-substances notifications and amendmentsDepartment of Revenue, Government of India
Appendix 3, SCOMET ListDirectorate General of Foreign Trade, Government of India

05Sources

S01
PubChem compound record, CID 216210
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.

01API identity and structure

02Structural nitrosamine screen

03India status for this compound

04Impurities and related compounds

05Sources