Dabigatran Impurity 135 | Identitet

01Identitet

Lazychem ID	LC-41280
CAS RN	Inte angivet
PubChem CID	44224443
Molecular formula	C29H28N6O7
Molecular weight	572.6 g/mol
IUPAC name	ethyl 3-[[2-[(4-cyanoanilino)methyl]-1-methylbenzimidazole-5-carbonyl]-pyridin-2-ylamino]propanoate;oxalic acid
InChIKey	JMECGZWCALSAMG-UHFFFAOYSA-N

02Struktur och stereokemi

Two-dimensional chemical structure of Dabigatran Impurity 135 — 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.

Defined stereocentres	0
Ring count	4
Secondary amines	1
Tertiary amines	0

SMILES	CCOC(=O)CCN(C1=CC=CC=N1)C(=O)C2=CC3=C(C=C2)N(C(=N3)CNC4=CC=C(C=C4)C#N)C.C(=O)(C(=O)O)O
InChI	Inte angivet

03Status i Indien

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

04Namn och relationer

API och moderläkemedel

Inte angivet

Namn och relationer

05Källor

S01
PubChem CID 44224443
Structure and machine-readable chemical identifiers.