Product Name :
Diquafosol Tetrasodium, Pyrimidinergic receptor P2Y4 agonist
Specifications & Purity :
98%
CAS :
211427-08-6
Formula:
C18H22N4Na4O23P4
Molecular Weight :
878.23
MDL number:
Synonyms :
Diquafosol tetrasodium|211427-08-6|Up4U|Diquafosol sodium|KPY-998|DE-089|X8T9SBH9LL|Diquafosol tetrasodium salt|INS365|Diquafosol tetrasodium [USAN]|Diquafosol (tetrasodium)|Diquas|Diquafosol sodium (JAN)|tetrasodium;[[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-
Shipped In:
Dry ice
IUPAC Name :
tetrasodium;[[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-oxidophosphoryl] [[[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-oxidophosphoryl]oxy-oxidophosphoryl] phosphate
INCHI :
InChI=1S/C18H26N4O23P4.4Na/c23-9-1-3-21(17(29)19-9)15-13(27)11(25)7(41-15)5-39-46(31,32)43-48(35,36)45-49(37,38)44-47(33,34)40-6-8-12(26)14(28)16(42-8)22-4-2-10(24)20-18(22)30;;;;/h1-4,7-8,11-16,25-28H,5-6H2,(H,31,32)(H,33,34)(H,35,36)(H,37,38)(H,19,23,29)(H,20,24,30);;;;/q;4*+1/p-4/t7-,8-,11-,12-,13-,14-,15-,16-;;;;/m1…./s1
InChi Key:
OWTGMPPCCUSXIP-FNXFGIETSA-J
Canonical SMILES:
C1=CN(C(=O)NC1=O)C2C(C(C(O2)COP(=O)([O-])OP(=O)([O-])OP(=O)([O-])OP(=O)([O-])OCC3C(C(C(O3)N4C=CC(=O)NC4=O)O)O)O)O.[Na+].[Na+].[Na+].[Na+]
Isomeric SMILES:
C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)([O-])OP(=O)([O-])OP(=O)([O-])OP(=O)([O-])OC[C@@H]3[C@H]([C@H]([C@@H](O3)N4C=CC(=O)NC4=O)O)O)O)O.[Na+].[Na+].[Na+].[Na+]
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