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Cetirizine Glycerol Ester

ISO 17034:

Chemical Name : Cetirizine Glycerol Ester
Catalog Number : CS-T-10966
CAS Number : 1243652-36-9
Status :
Category : Cetirizine Impurities
Therapeutic : Antihistamine
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Canonical SMILES : COP(=O)(OC1C(C(C(O1)N2C=CC(=O)NC2=O)O)O)OP(=O)(O)OC3C(C(C(C(O3)CO)O)O)N
Isomeric SMILES : COP(=O)(O[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=CC(=O)NC2=O)O)O)OP(=O)(O)O[C@@H]3[C@H]([C@H]([C@@H]([C@H](O3)CO)O)O)N
InChI : InChI=1S/C15H25N3O16P2/c1-29-36(28,34-35(26,27)32-13-7(16)9(22)8(21)5(4-19)30-13)33-14-11(24)10(23)12(31-14)18-3-2-6(20)17-15(18)25/h2-3,5,7-14,19,21-24H,4,16H2,1H3,(H,26,27)(H,17,20,25)/t5-,7+,8-,9-,10-,11+,12-,13-,14-,36?/m1/s1
IUPAC Name : [[(2R,3S,4R,5S,6R)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-hydroxyphosphoryl] [(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl] methyl phosphate
Exact Mass : 565.07100571