Regadenoson Impurity 6

ethyl 1-[6-amino-9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-2-yl]pyrazole-4-carboxylate

Also Known As: Regadenoson Impurity 6|Regadenoson Impurity 11|CVT 3127|CVT 3127; Regadenoson Impurity|Ethyl 1-[6-amino-9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-2-yl]pyrazole-4-carboxylate|J1.806.391C|2-[4-(Ethoxycarbonyl)-1H-pyrazol-1-yl]adenosine|2-[4-(Ethoxycarbonyl)-1H-pyrazole-1-yl]adenosine|Ethyl 1-(6-amino-9-((2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl)-9H-purin-2-yl)-1H-pyrazole-4-carboxylate|1-(6-Amino-9-b-D-ribofuranosyl-9H-purin-2-yl)-1H-pyrazole-4-carboxylic AcidEthyl Ester|1-(6-Amino-9-|A-D-ribofuranosyl-9H-purin-2-yl)-1H-pyrazole-4-carboxylic AcidEthyl Ester|ethyl 1-{6-amino-9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-9H-purin-2-yl}-1H-pyrazole-4-carboxylate|1-(6-Amino-9-b-D-ribofuranosyl-9H-purin-2-yl)-1H-pyrazole-4-carboxylic Acid Ethyl Ester|1-(6-Amino-9-beta-D-ribofuranosyl-9H-purin-2-yl)-1H-pyrazole-4-carboxylic AcidEthyl Ester|1-(6-Amino-9-beta-D-ribofuranosyl-9H-purin-2-yl)-1H-pyrazole-4-carboxylic Acid Ethyl Ester|1-[6-Amino-9-((2R,3R,4S,5R)-3,4-dihydroxy-5-hydroxymethyl-tetrahydro-furan-2-yl)-9H-purin-2-yl]-1H-pyrazole-4-carboxylic acid ethyl ester|1H-Pyrazole-4-carboxylic acid, 1-(6-amino-9-beta-D-ribofuranosyl-9H-purin-2-yl)-, ethyl ester|Ethyl 1-{9-[(4S,2R,3R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-aminopurin-2-yl}pyrazole-4-carboxylate|ethyl1-{9-[(4S,2R,3R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-aminopurin-2-yl}pyrazole-4-carboxylate

Molecular Formula	C16H19N7O6
Molecular Weight	405.13968 g/mol
LogP	-1.6176
Topological Polar Surface Area	183.66 Ų
Hydrogen Bond Donors	4
Hydrogen Bond Acceptors	11
Rotatable Bonds	5
Exact Mass	405.13968
Monoisotopic Mass	405.13968
Heavy Atoms	29
Complexity	1049.7346

Chemical Identifiers

CAS Number	313348-16-2
SMILES	CCOC(=O)C1=CN(N=C1)C2=NC(=C3C(=N2)N(C=N3)[C@H]4[C@@H]([C@@H]([C@H](O4)CO)O)O)N