Dabigatran impurity 91 | Identita

01Identita

Lazychem ID	LC-37629
CAS RN	Neuvedené
PubChem CID	76283877
Molecular formula	C27H28N6O4
Molecular weight	500.5 g/mol
IUPAC name	ethyl 3-[[3-amino-4-[[2-(4-cyanoanilino)acetyl]-methylamino]benzoyl]-pyridin-2-ylamino]propanoate
InChIKey	KQVZPPAJPRIOEZ-UHFFFAOYSA-N

02Štruktúra a stereochémia

Two-dimensional chemical structure of Dabigatran impurity 91 — Two-dimensional structure for the PubChem identity linked to this record. Confirm the identifiers before analytical use.

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

Defined stereocentres	0
Ring count	3
Secondary amines	1
Tertiary amines	0

SMILES	CCOC(=O)CCN(C1=CC=CC=N1)C(=O)C2=CC(=C(C=C2)N(C)C(=O)CNC3=CC=C(C=C3)C#N)N
InChI	Neuvedené

03Stav v Indii

Exact-compound status is evaluated only against the published name and CAS number. Confirm the current official instrument before a regulatory decision.

04Názvy a vzťahy

API a materské liečivo

Neuvedené

Názvy a vzťahy

05Zdroje

S01
PubChem CID 76283877
Structure and machine-readable chemical identifiers.