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

Details

Stereochemistry ACHIRAL
Molecular Formula C18H21NO3.ClH
Molecular Weight 335.825
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of (4-(2-(DIMETHYLAMINO)ETHOXY)-2-HYDROXYPHENYL) (4-METHYLPHENYL) KETONE HYDROCHLORIDE

SMILES

Cl.CN(C)CCOC1=CC=C(C(=O)C2=CC=C(C)C=C2)C(O)=C1

InChI

InChIKey=AMQCNBFKHKJOIJ-UHFFFAOYSA-N
InChI=1S/C18H21NO3.ClH/c1-13-4-6-14(7-5-13)18(21)16-9-8-15(12-17(16)20)22-11-10-19(2)3;/h4-9,12,20H,10-11H2,1-3H3;1H

HIDE SMILES / InChI

Molecular Formula ClH
Molecular Weight 36.461
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C18H21NO3
Molecular Weight 299.3642
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 Tue Apr 01 19:26:49 GMT 2025
Edited
by admin
on Tue Apr 01 19:26:49 GMT 2025
Record UNII
8T3AHM43VJ
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
(4-(2-(DIMETHYLAMINO)ETHOXY)-2-HYDROXYPHENYL) (4-METHYLPHENYL) KETONE HYDROCHLORIDE
Systematic Name English
METHANONE, (4-(2-(DIMETHYLAMINO)ETHOXY)-2-HYDROXYPHENYL)(4-METHYLPHENYL)-, HYDROCHLORIDE
Preferred Name English
Code System Code Type Description
PUBCHEM
3019351
Created by admin on Tue Apr 01 19:26:49 GMT 2025 , Edited by admin on Tue Apr 01 19:26:49 GMT 2025
PRIMARY
EPA CompTox
DTXSID70232679
Created by admin on Tue Apr 01 19:26:49 GMT 2025 , Edited by admin on Tue Apr 01 19:26:49 GMT 2025
PRIMARY
ECHA (EC/EINECS)
280-913-0
Created by admin on Tue Apr 01 19:26:49 GMT 2025 , Edited by admin on Tue Apr 01 19:26:49 GMT 2025
PRIMARY
CAS
83803-92-3
Created by admin on Tue Apr 01 19:26:49 GMT 2025 , Edited by admin on Tue Apr 01 19:26:49 GMT 2025
PRIMARY
FDA UNII
8T3AHM43VJ
Created by admin on Tue Apr 01 19:26:49 GMT 2025 , Edited by admin on Tue Apr 01 19:26:49 GMT 2025
PRIMARY