Dabigatran Impurity 13

cas: 1408238-37-8 — see every product listed under this CAS number, including other names

Dabigatran Impurity 13 (CAS 1408238-37-8) is a chemical reagent available from Chemat. Available pack sizes: on request. Offered by: Chemat Brand.

brandChemat Brand
catalog numberULD5937
cas1408238-37-8
sizeon request
availability Do potwierdzenia przez Chemat|To be confirmed by Chemat
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categoryChemicals
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3-[[2-[[4-(hexoxycarbonylcarbamoyl)anilino]methyl]-1-methylbenzimidazole-5-carbonyl]-pyridin-2-ylamino]propanoic acid (CAS 1408238-37-8) is a chemical compound with the molecular formula C32H36N6O6 and a molecular weight of 600.7 g/mol. IUPAC name: 3-[[2-[[4-(hexoxycarbonylcarbamoyl)anilino]methyl]-1-methylbenzimidazole-5-carbonyl]-pyridin-2-ylamino]propanoic acid. InChIKey: GYSMJNALQPNLBO-UHFFFAOYSA-N.

Identity
Molecular formulaC32H36N6O6
Molecular weight600.7 g/mol
IUPAC name3-[[2-[[4-(hexoxycarbonylcarbamoyl)anilino]methyl]-1-methylbenzimidazole-5-carbonyl]-pyridin-2-ylamino]propanoic acid
InChIKeyGYSMJNALQPNLBO-UHFFFAOYSA-N
SMILESCCCCCCOC(=O)NC(=O)C1=CC=C(C=C1)NCC2=NC3=C(N2C)C=CC(=C3)C(=O)N(CCC(=O)O)C4=CC=CC=N4

Computed by PubChem (NCBI)

Synonyms: Dabigatran impurity P, Dabigatran Impurity p, Dabigatran Etexilate Impurity S, GYSMJNALQPNLBO-UHFFFAOYSA-N
Isomers (same molecular formula)
4-amino-8-[3-[2-(3,4-dimethoxyphenyl)ethylamino]propyl]-6,6-dimethyl-2-(4-methyl-3-nitrophenyl)-3H-imidazo[4,5-h]isoquinoline-7,9-dione C32H36N6O6

Also listed as

N-((2-(((4-((((Hexyloxy)carbonyl)amino)carbonyl)phenyl)amino)methyl)-1-methyl-1H-benzimidazol-5-yl)carbonyl)-N-2-pyridinyl-beta-alanine, >95% (HPLC) TRC CAS 1408238-37-8
N-((2-(((4-((((Hexyloxy)carbonyl)amino)carbonyl)phenyl)amino)methyl)-1-methyl-1H-benzimidazol-5-yl)carbonyl)-N-2-pyridinyl-b-alanine, >95% (HPLC) TRC CAS 1408238-37-8
N-((2-(((4-((((Hexyloxy)carbonyl)amino)carbonyl)phenyl)amino)methyl)-1-methyl-1H-benzimidazol-5-yl)carbonyl)-N-2-pyridinyl-β-alanine Biosynth CAS 1408238-37-8