N-Formyl octabase, (S)-

Details

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

SHOW SMILES / InChI

Structure Search

SMILES

COC1=CC=C(C[C@@H]2N(CCC3=C2CCCC3)C=O)C=C1

InChI

InChIKey=XSOPBBOEINVWML-SFHVURJKSA-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/t18-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C18H23NO2
Molecular Weight	285.3807
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	1 / 1
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Wed Apr 02 17:32:25 GMT 2025` Edited by `admin` on `Wed Apr 02 17:32:25 GMT 2025`
Record UNII	5R7S7A2EF7
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

(+)-N-Formyl octabase

Preferred Name

English

N-Formyl octabase, (S)-

Common Name

English

1-[(4-Methoxyphenyl)methyl]-3,4,5,6,7,8-hexahydro-1H-isoquinoline-2-carbaldehyde, (1S)-

Systematic Name

English

(S)-3,4,5,6,7,8-Hexahydro-1-[(4-methoxyphenyl)methyl](1H)-isoquinoline-2-carbaldehyde

Systematic Name

English

(1S)-1-[(4-Methoxyphenyl)methyl]-3,4,5,6,7,8-hexahydro-1H-isoquinoline-2-carbaldehyde

Systematic Name

English

2(1H)-Isoquinolinecarboxaldehyde, 3,4,5,6,7,8-hexahydro-1-(p-methoxybenzyl)-, (+)-

Systematic Name

English

2(1H)-Isoquinolinecarboxaldehyde, 3,4,5,6,7,8-hexahydro-1-[(4-methoxyphenyl)methyl]-, (1S)-

Systematic Name

English

Code System Code Type Description

EPA CompTox

DTXSID40951749

Created by admin on Wed Apr 02 17:32:25 GMT 2025 , Edited by admin on Wed Apr 02 17:32:25 GMT 2025

PRIMARY

FDA UNII

5R7S7A2EF7

Created by admin on Wed Apr 02 17:32:25 GMT 2025 , Edited by admin on Wed Apr 02 17:32:25 GMT 2025

PRIMARY

PUBCHEM

13919022

Created by admin on Wed Apr 02 17:32:25 GMT 2025 , Edited by admin on Wed Apr 02 17:32:25 GMT 2025

PRIMARY

CAS

29144-31-8

Created by admin on Wed Apr 02 17:32:25 GMT 2025 , Edited by admin on Wed Apr 02 17:32:25 GMT 2025

PRIMARY

Related Record Type Details


					PD6GG6KR8T

N-Formyl octabase, (±)-

RACEMATE -> ENANTIOMER

Amount:


					V2S7EQ73PZ

N-Formyl Octabase, (R)-

ENANTIOMER -> ENANTIOMER

Amount: