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

Details

Stereochemistry RACEMIC
Molecular Formula C18H27NO3
Molecular Weight 305.4119
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3',4'-DIMETHOXY-.ALPHA.-PHP

SMILES

CCCCC(N1CCCC1)C(=O)C2=CC=C(OC)C(OC)=C2

InChI

InChIKey=KAWWDIAYCGMAPE-UHFFFAOYSA-N
InChI=1S/C18H27NO3/c1-4-5-8-15(19-11-6-7-12-19)18(20)14-9-10-16(21-2)17(13-14)22-3/h9-10,13,15H,4-8,11-12H2,1-3H3

HIDE SMILES / InChI

Molecular Formula C18H27NO3
Molecular Weight 305.4119
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 Sat Dec 16 10:24:22 GMT 2023
Edited
by admin
on Sat Dec 16 10:24:22 GMT 2023
Record UNII
CO09A4CNE0
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
3',4'-DIMETHOXY-.ALPHA.-PHP
Common Name English
1-HEXANONE, 1-(3,4-DIMETHOXYPHENYL)-2-(1-PYRROLIDINYL)-
Systematic Name English
DIMETHOXY-.ALPHA.-PYRROLIDINOHEXIOPHENONE
Common Name English
Classification Tree Code System Code
WIKIPEDIA Designer-drugs-1-HEXANONE, 1-(3,4-DIMETHOXYPHENYL)-2-(1-PYRROLIDINYL)-
Created by admin on Sat Dec 16 10:24:22 GMT 2023 , Edited by admin on Sat Dec 16 10:24:22 GMT 2023
Code System Code Type Description
PUBCHEM
122213805
Created by admin on Sat Dec 16 10:24:22 GMT 2023 , Edited by admin on Sat Dec 16 10:24:22 GMT 2023
PRIMARY
FDA UNII
CO09A4CNE0
Created by admin on Sat Dec 16 10:24:22 GMT 2023 , Edited by admin on Sat Dec 16 10:24:22 GMT 2023
PRIMARY
MANUFACTURER PRODUCT INFORMATION
DIMETHOXY-.ALPHA.-PYRROLIDINOHEXIOPHENONE
Created by admin on Sat Dec 16 10:24:22 GMT 2023 , Edited by admin on Sat Dec 16 10:24:22 GMT 2023
PRIMARY Forensic Toxicol (2015) 33:244?259 Compound 8
CAS
1850391-74-0
Created by admin on Sat Dec 16 10:24:22 GMT 2023 , Edited by admin on Sat Dec 16 10:24:22 GMT 2023
PRIMARY
Related Record Type Details
ACTIVE MOIETY