BGC > Produktsuche > Cetirizine glycerol ester | 1243652-36-9

Molecular Formula: C24H31ClN2O5
Molecular Weight: 462.96634

Description:
An impurity of cetirizine, an antihistamine used to relieve allergy symptoms.

• Molecular Weight:462.98
• Purity:> 95%

Molecular Formula:
C24H31ClN2O5
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
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
InChIKey:
OTRYNJABZABMBJ-PDUAMWBPSA-N
Synonyms:
Cetirizine Glycerol Ester; Acetic acid, 2-​[2-​[4-​[(4-​chlorophenyl)​phenylmethyl]​-​1-​piperazinyl]​ethoxy]​-​, 2,​3-​dihydroxypropyl ester