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Details

Stereochemistry ABSOLUTE
Molecular Formula C21H25ClN2O3.2ClH
Molecular Weight 461.81
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of CETIRIZINE DIHYDROCHLORIDE, (S)-

SMILES

Cl.Cl.OC(=O)COCCN1CCN(CC1)[C@@H](C2=CC=CC=C2)C3=CC=C(Cl)C=C3

InChI

InChIKey=PGLIUCLTXOYQMV-FGJQBABTSA-N
InChI=1S/C21H25ClN2O3.2ClH/c22-19-8-6-18(7-9-19)21(17-4-2-1-3-5-17)24-12-10-23(11-13-24)14-15-27-16-20(25)26;;/h1-9,21H,10-16H2,(H,25,26);2*1H/t21-;;/m0../s1

HIDE SMILES / InChI

Molecular Formula ClH
Molecular Weight 36.461
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C21H25ClN2O3
Molecular Weight 388.888
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 09:55:42 GMT 2023
Edited
by admin
on Sat Dec 16 09:55:42 GMT 2023
Record UNII
4792TC1585
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
CETIRIZINE DIHYDROCHLORIDE, (S)-
Common Name English
ACETIC ACID, (2-(4-((S)-(4-CHLOROPHENYL)PHENYLMETHYL)-1-PIPERAZINYL)ETHOXY)-, DIHYDROCHLORIDE
Systematic Name English
ACETIC ACID, (2-(4-((4-CHLOROPHENYL)PHENYLMETHYL)-1-PIPERAZINYL)ETHOXY)-, DIHYDROCHLORIDE, (S)-
Systematic Name English
(S)-CETIRIZINE DIHYDROCHLORIDE
Common Name English
ACETIC ACID, 2-(2-(4-((S)-(4-CHLOROPHENYL)PHENYLMETHYL)-1-PIPERAZINYL)ETHOXY)-, HYDROCHLORIDE (1:2)
Systematic Name English
DEXTROCETIRIZINE DIHYDROCHLORIDE
Common Name English
(S)-(+)-CETIRIZINE HYDROCHLORIDE
Common Name English
Code System Code Type Description
PUBCHEM
11751569
Created by admin on Sat Dec 16 09:55:42 GMT 2023 , Edited by admin on Sat Dec 16 09:55:42 GMT 2023
PRIMARY
CAS
163837-48-7
Created by admin on Sat Dec 16 09:55:42 GMT 2023 , Edited by admin on Sat Dec 16 09:55:42 GMT 2023
PRIMARY
FDA UNII
4792TC1585
Created by admin on Sat Dec 16 09:55:42 GMT 2023 , Edited by admin on Sat Dec 16 09:55:42 GMT 2023
PRIMARY