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Details

Stereochemistry RACEMIC
Molecular Formula C25H27ClN2.2ClH
Molecular Weight 463.87
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of MECLIZINE O-CHLORO ISOMER, DIHYDROCHLORIDE

SMILES

Cl.Cl.CC1=CC(CN2CCN(CC2)C(C3=CC=CC=C3)C4=CC=CC=C4Cl)=CC=C1

InChI

InChIKey=GZAWMTISACYKCU-UHFFFAOYSA-N
InChI=1S/C25H27ClN2.2ClH/c1-20-8-7-9-21(18-20)19-27-14-16-28(17-15-27)25(22-10-3-2-4-11-22)23-12-5-6-13-24(23)26;;/h2-13,18,25H,14-17,19H2,1H3;2*1H

HIDE SMILES / InChI

Molecular Formula C25H27ClN2
Molecular Weight 390.948
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

Molecular Formula ClH
Molecular Weight 36.461
Charge 0
Count
MOL RATIO 2 MOL RATIO (average)
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Record UNII
02554U1AAV
Record Status Validated (UNII)
Record Version