U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ABSOLUTE
Molecular Formula C20H27NO3
Molecular Weight 329.4333
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of N-DESETHYLOXYBUTYNIN, (S)-

SMILES

CCNCC#CCOC(=O)[C@](O)(C1CCCCC1)C2=CC=CC=C2

InChI

InChIKey=SNIBJKHIKIIGPR-HXUWFJFHSA-N
InChI=1S/C20H27NO3/c1-2-21-15-9-10-16-24-19(22)20(23,17-11-5-3-6-12-17)18-13-7-4-8-14-18/h3,5-6,11-12,18,21,23H,2,4,7-8,13-16H2,1H3/t20-/m1/s1

HIDE SMILES / InChI

Molecular Formula C20H27NO3
Molecular Weight 329.4333
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Patents

Patents

Substance Class Chemical
Created
by admin
on Sat Dec 16 07:32:37 GMT 2023
Edited
by admin
on Sat Dec 16 07:32:37 GMT 2023
Record UNII
1Q66P17XPM
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
N-DESETHYLOXYBUTYNIN, (S)-
Common Name English
(S)-N-DESETHYLOXYBUTYNIN
Common Name English
(S)-DESETHYLOXYBUTYNIN
Common Name English
N-DESETHYLOXYBUTYNIN, (+)-
Common Name English
BENZENEACETIC ACID, .ALPHA.-CYCLOHEXYL-.ALPHA.-HYDROXY-, 4-(ETHYLAMINO)-2-BUTYN-1-YL ESTER, (.ALPHA.S)-
Systematic Name English
Code System Code Type Description
PUBCHEM
9945371
Created by admin on Sat Dec 16 07:32:37 GMT 2023 , Edited by admin on Sat Dec 16 07:32:37 GMT 2023
PRIMARY
CAS
181646-98-0
Created by admin on Sat Dec 16 07:32:37 GMT 2023 , Edited by admin on Sat Dec 16 07:32:37 GMT 2023
PRIMARY
FDA UNII
1Q66P17XPM
Created by admin on Sat Dec 16 07:32:37 GMT 2023 , Edited by admin on Sat Dec 16 07:32:37 GMT 2023
PRIMARY
Related Record Type Details
RACEMATE -> ENANTIOMER