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Details

Stereochemistry MIXED
Molecular Formula C30H40N2O4
Molecular Weight 492.6496
Optical Activity UNSPECIFIED
Defined Stereocenters 0 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2,3-Dihydro-2-[hydroxy[1-(phenylmethyl)-4-piperidinyl]methyl]-5,6-dimethoxy-2-(4-piperidinylmethyl)-1H-inden-1-one

SMILES

COC1=CC2=C(C=C1OC)C(=O)C(CC3CCNCC3)(C2)C(O)C4CCN(CC5=CC=CC=C5)CC4

InChI

InChIKey=ZXDPWBKVSOSHTJ-UHFFFAOYSA-N
InChI=1S/C30H40N2O4/c1-35-26-16-24-19-30(18-21-8-12-31-13-9-21,29(34)25(24)17-27(26)36-2)28(33)23-10-14-32(15-11-23)20-22-6-4-3-5-7-22/h3-7,16-17,21,23,28,31,33H,8-15,18-20H2,1-2H3

HIDE SMILES / InChI

Molecular Formula C30H40N2O4
Molecular Weight 492.6496
Charge 0
Count
Stereochemistry MIXED
Additional Stereochemistry No
Defined Stereocenters 0 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Wed Apr 02 17:39:54 GMT 2025
Edited
by admin
on Wed Apr 02 17:39:54 GMT 2025
Record UNII
ECV6J32QQV
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2,3-Dihydro-2-[hydroxy[1-(phenylmethyl)-4-piperidinyl]methyl]-5,6-dimethoxy-2-(4-piperidinylmethyl)-1H-inden-1-one
Systematic Name English
1H-Inden-1-one, 2,3-dihydro-2-[hydroxy[1-(phenylmethyl)-4-piperidinyl]methyl]-5,6-dimethoxy-2-(4-piperidinylmethyl)-
Preferred Name English
Code System Code Type Description
CAS
1391052-12-2
Created by admin on Wed Apr 02 17:39:54 GMT 2025 , Edited by admin on Wed Apr 02 17:39:54 GMT 2025
PRIMARY
PUBCHEM
71751691
Created by admin on Wed Apr 02 17:39:54 GMT 2025 , Edited by admin on Wed Apr 02 17:39:54 GMT 2025
PRIMARY
FDA UNII
ECV6J32QQV
Created by admin on Wed Apr 02 17:39:54 GMT 2025 , Edited by admin on Wed Apr 02 17:39:54 GMT 2025
PRIMARY