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

Details

Stereochemistry ACHIRAL
Molecular Formula C26H27NO
Molecular Weight 369.4987
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3-(4-BUTYLNAPHTHALENE-1-CARBONYL)-1-PROPYL-1H-INDOLE

SMILES

CCCCC1=CC=C(C(=O)C2=CN(CCC)C3=CC=CC=C23)C4=C1C=CC=C4

InChI

InChIKey=XHIXPRIGTFMZHJ-UHFFFAOYSA-N
InChI=1S/C26H27NO/c1-3-5-10-19-15-16-23(21-12-7-6-11-20(19)21)26(28)24-18-27(17-4-2)25-14-9-8-13-22(24)25/h6-9,11-16,18H,3-5,10,17H2,1-2H3

HIDE SMILES / InChI

Molecular Formula C26H27NO
Molecular Weight 369.4987
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 14:16:36 GMT 2023
Edited
by admin
on Sat Dec 16 14:16:36 GMT 2023
Record UNII
PC7MT539NR
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
3-(4-BUTYLNAPHTHALENE-1-CARBONYL)-1-PROPYL-1H-INDOLE
Systematic Name English
METHANONE, (4-BUTYL-1-NAPHTHALENYL)(1-PROPYL-1H-INDOL-3-YL)-
Systematic Name English
(4-BUTYL-1-NAPHTHALENYL)(1-PROPYL-1H-INDOL-3-YL)METHANONE
Systematic Name English
JWH-239
Code English
JWH239
Code English
Code System Code Type Description
FDA UNII
PC7MT539NR
Created by admin on Sat Dec 16 14:16:36 GMT 2023 , Edited by admin on Sat Dec 16 14:16:36 GMT 2023
PRIMARY
EPA CompTox
DTXSID90669882
Created by admin on Sat Dec 16 14:16:36 GMT 2023 , Edited by admin on Sat Dec 16 14:16:36 GMT 2023
PRIMARY
PUBCHEM
45271228
Created by admin on Sat Dec 16 14:16:36 GMT 2023 , Edited by admin on Sat Dec 16 14:16:36 GMT 2023
PRIMARY
CAS
824960-04-5
Created by admin on Sat Dec 16 14:16:36 GMT 2023 , Edited by admin on Sat Dec 16 14:16:36 GMT 2023
PRIMARY
Related Record Type Details
ACTIVE MOIETY