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Details

Stereochemistry ACHIRAL
Molecular Formula C20H25NO3.ClH
Molecular Weight 363.878
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 1-(4'-HYDROXY-3'-HYDROXYMETHYL)-2-(BENZYL-TERT-BUTYLAMINO)ETHANONE HYDROCHLORIDE

SMILES

Cl.CC(C)(C)N(CC(=O)C1=CC=C(O)C(CO)=C1)CC2=CC=CC=C2

InChI

InChIKey=QXNITHCPVLQQEN-UHFFFAOYSA-N
InChI=1S/C20H25NO3.ClH/c1-20(2,3)21(12-15-7-5-4-6-8-15)13-19(24)16-9-10-18(23)17(11-16)14-22;/h4-11,22-23H,12-14H2,1-3H3;1H

HIDE SMILES / InChI

Approval Year

Name Type Language
1-(4'-HYDROXY-3'-HYDROXYMETHYL)-2-(BENZYL-TERT-BUTYLAMINO)ETHANONE HYDROCHLORIDE
Common Name English
2-(Benzyl(tert-butyl)amino)-1-(4-hydroxy-3-(hydroxymethyl)phenyl)ethanone hydrochloride
Preferred Name English
Ethanone, 2-[(1,1-dimethylethyl)(phenylmethyl)amino]-1-[4-hydroxy-3-(hydroxymethyl)phenyl]-, hydrochloride (1:1)
Systematic Name English
Acetophenone, 2-(benzyl-tert-butylamino)-4?-hydroxy-3?-(hydroxymethyl)-, hydrochloride
Systematic Name English
2-(Benzyl-tert-butylamino)-4?-hydroxy-3?-hydroxymethylacetophenone hydrochloride
Systematic Name English
Code System Code Type Description
PUBCHEM
154872
Created by admin on Mon Mar 31 22:02:40 GMT 2025 , Edited by admin on Mon Mar 31 22:02:40 GMT 2025
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CAS
24085-08-3
Created by admin on Mon Mar 31 22:02:40 GMT 2025 , Edited by admin on Mon Mar 31 22:02:40 GMT 2025
PRIMARY
EPA CompTox
DTXSID00178814
Created by admin on Mon Mar 31 22:02:40 GMT 2025 , Edited by admin on Mon Mar 31 22:02:40 GMT 2025
PRIMARY
FDA UNII
HZH6XSQ72R
Created by admin on Mon Mar 31 22:02:40 GMT 2025 , Edited by admin on Mon Mar 31 22:02:40 GMT 2025
PRIMARY