BGC > Produktsuche > N-[[2-[[[4-(aminoiminomethyl)phenyl]amino]methyl]-1-methyl-1H-benzimidazol-5-yl]carbonyl]-N-(2-pyridinyl)-beta-alanine ethyl ester hydrochloride | 211914-50-0

Molecular Formula: C27H29N7O3.HCl
Molecular Weight: 536.0252

Molecular formula:C27H30ClN7O3

Description:
A derivative of Dabigatran, which acts as a non-peptide, direct thrombin inhibitor.

• Molecular Weight:536.03
• Melting Point:152-154°C
• Purity:>95%

Molecular Formula:
C27H30ClN7O3
Canonical 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)N)C.Cl
InChI:
InChI=1S/C27H29N7O3.ClH/c1-3-37-25(35)13-15-34(23-6-4-5-14-30-23)27(36)19-9-12-22-21(16-19)32-24(33(22)2)17-31-20-10-7-18(8-11-20)26(28)29;/h4-12,14,16,31H,3,13,15,17H2,1-2H3,(H3,28,29);1H
InChIKey:
FHWBKCGBULSVFO-UHFFFAOYSA-N
Appearance:
Off-white Solid
Synonyms:
Dabigatran Impurity O HCl; Dabigatran Ethyl Ester Hydrochloride Salt; Ethyl 3-[[2-[(4-carbamimidoylanilino)methyl]-1-methylbenzimidazole-5-carbonyl]-pyridin-2-ylamino]propanoate hydrochloride