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Details

Stereochemistry RACEMIC
Molecular Formula C18H23NO2
Molecular Weight 285.3807
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of N-Formyl octabase, (±)-

SMILES

COC1=CC=C(CC2N(CCC3=C2CCCC3)C=O)C=C1

InChI

InChIKey=XSOPBBOEINVWML-UHFFFAOYSA-N
InChI=1S/C18H23NO2/c1-21-16-8-6-14(7-9-16)12-18-17-5-3-2-4-15(17)10-11-19(18)13-20/h6-9,13,18H,2-5,10-12H2,1H3

HIDE SMILES / InChI

Molecular Formula C18H23NO2
Molecular Weight 285.3807
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 19:35:21 GMT 2025
Edited
by admin
on Wed Apr 02 19:35:21 GMT 2025
Record UNII
PD6GG6KR8T
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
(±)-N-Formyl octabase
Preferred Name English
N-Formyl octabase, (±)-
Common Name English
2(1H)-Isoquinolinecarboxaldehyde, 3,4,5,6,7,8-hexahydro-1-[(4-methoxyphenyl)methyl]-
Systematic Name English
2-Formyl-1-(4-methoxybenzyl)-1,2,3,4,5,6,7,8-octahydroisoquinoline
Systematic Name English
3,4,5,6,7,8-Hexahydro-1-[(4-methoxyphenyl)methyl]-2(1H)-isoquinolinecarboxaldehyde
Systematic Name English
2(1H)-Isoquinolinecarboxaldehyde, 3,4,5,6,7,8-hexahydro-1-p-methoxybenzyl-
Systematic Name English
Code System Code Type Description
PUBCHEM
119862
Created by admin on Wed Apr 02 19:35:21 GMT 2025 , Edited by admin on Wed Apr 02 19:35:21 GMT 2025
PRIMARY
FDA UNII
PD6GG6KR8T
Created by admin on Wed Apr 02 19:35:21 GMT 2025 , Edited by admin on Wed Apr 02 19:35:21 GMT 2025
PRIMARY
CAS
63477-91-8
Created by admin on Wed Apr 02 19:35:21 GMT 2025 , Edited by admin on Wed Apr 02 19:35:21 GMT 2025
PRIMARY
Related Record Type Details
ENANTIOMER -> RACEMATE
ENANTIOMER -> RACEMATE