Dabigatran Carboxamide Ethyl Ester - CAS 1422435-41-3

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Catalog Number: R032469

CAS Number: 1422435-41-3

PubChem Substance ID:355159011

Molecular Formula: C27H28N6O4

Molecular Weight:500.559

Purity: ≥95%

* For research use only. Not for human or veterinary use.

Synonym

SynonymsN-[[2-[[[4-(Aminocarbonyl)phenyl]amino]methyl]-1-methyl-1H-benzimidazol-5-yl]carbonyl]-N-2-pyridinyl-β-alanine Ethyl Ester; Dabigatran Etexilate Mesylate Impurity B

Property

Molecular Formula: C27H28N6O4
Molecular Weight500.559
Purity≥95%
Storage-20°C

Computed Descriptor

IUPAC Nameethyl 3-[[2-[(4-carbamoylanilino)methyl]-1-methylbenzimidazole-5-carbonyl]-pyridin-2-ylamino]propanoate
InChIInChI=1S/C27H28N6O4/c1-3-37-25(34)13-15-33(23-6-4-5-14-29-23)27(36)19-9-12-22-21(16-19)31-24(32(22)2)17-30-20-10-7-18(8-11-20)26(28)35/h4-12,14,16,30H,3,13,15,17H2,1-2H3,(H2,28,35)
InChIKeyATPVLOGCHWOVKJ-UHFFFAOYSA-N
SMILESCCOC(=O)CCN(C1=CC=CC=N1)C(=O)C2=CC3=C(C=C2)N(C(=N3)CNC4=CC=C(C=C4)C(=O)N)C