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Details

Stereochemistry UNKNOWN
Molecular Formula C28H33ClN2.2ClH
Molecular Weight 505.95
Optical Activity ( + )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of BUCLIZINE HYDROCHLORIDE, (+)-

SMILES

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

InChI

InChIKey=SDBHDSZKNVDKNU-UHFFFAOYSA-N
InChI=1S/C28H33ClN2.2ClH/c1-28(2,3)25-13-9-22(10-14-25)21-30-17-19-31(20-18-30)27(23-7-5-4-6-8-23)24-11-15-26(29)16-12-24;;/h4-16,27H,17-21H2,1-3H3;2*1H

HIDE SMILES / InChI

Molecular Formula C28H33ClN2
Molecular Weight 433.028
Charge 0
Count
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
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 01:54:04 UTC 2023
Edited
by admin
on Sat Dec 16 01:54:04 UTC 2023
Record UNII
EOP5593FPH
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
BUCLIZINE HYDROCHLORIDE, (+)-
Common Name English
PIPERAZINE, 1-((4-CHLOROPHENYL)PHENYLMETHYL)-4-((4-(1,1-DIMETHYLETHYL)PHENYL)METHYL)-, DIHYDROCHLORIDE, (+)-
Systematic Name English
Code System Code Type Description
PUBCHEM
65463
Created by admin on Sat Dec 16 01:54:04 UTC 2023 , Edited by admin on Sat Dec 16 01:54:04 UTC 2023
PRIMARY
FDA UNII
EOP5593FPH
Created by admin on Sat Dec 16 01:54:04 UTC 2023 , Edited by admin on Sat Dec 16 01:54:04 UTC 2023
PRIMARY
CAS
163837-36-3
Created by admin on Sat Dec 16 01:54:04 UTC 2023 , Edited by admin on Sat Dec 16 01:54:04 UTC 2023
PRIMARY
Related Record Type Details
RACEMATE -> ENANTIOMER