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Details

Stereochemistry RACEMIC
Molecular Formula C24H27NO3.ClH
Molecular Weight 413.937
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 1-Benzyl-4-[(5,6-dimethoxy-1-oxoindan-2-yl)methyl]-1,2,3,6-tetrahydropyridine hydrochloride

SMILES

Cl.COC1=C(OC)C=C2C(=O)C(CC3=CCN(CC4=CC=CC=C4)CC3)CC2=C1

InChI

InChIKey=KTLZNZJMCVPWDX-UHFFFAOYSA-N
InChI=1S/C24H27NO3.ClH/c1-27-22-14-19-13-20(24(26)21(19)15-23(22)28-2)12-17-8-10-25(11-9-17)16-18-6-4-3-5-7-18;/h3-8,14-15,20H,9-13,16H2,1-2H3;1H

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 C24H27NO3
Molecular Weight 377.4761
Charge 0
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

Approval Year

Substance Class Chemical
Created
by admin
on Wed Apr 02 17:41:35 GMT 2025
Edited
by admin
on Wed Apr 02 17:41:35 GMT 2025
Record UNII
9XD5WG9M83
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
1H-Inden-1-one, 2,3-dihydro-5,6-dimethoxy-2-[[1,2,3,6-tetrahydro-1-(phenylmethyl)-4-pyridinyl]methyl]-, hydrochloride (1:1)
Preferred Name English
1-Benzyl-4-[(5,6-dimethoxy-1-oxoindan-2-yl)methyl]-1,2,3,6-tetrahydropyridine hydrochloride
Systematic Name English
Code System Code Type Description
FDA UNII
9XD5WG9M83
Created by admin on Wed Apr 02 17:41:35 GMT 2025 , Edited by admin on Wed Apr 02 17:41:35 GMT 2025
PRIMARY
PUBCHEM
69287600
Created by admin on Wed Apr 02 17:41:35 GMT 2025 , Edited by admin on Wed Apr 02 17:41:35 GMT 2025
PRIMARY
CAS
608511-39-3
Created by admin on Wed Apr 02 17:41:35 GMT 2025 , Edited by admin on Wed Apr 02 17:41:35 GMT 2025
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE