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Details

Stereochemistry RACEMIC
Molecular Formula C12H17NO3
Molecular Weight 223.2683
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2-METHYLAMINO-1-(4-HYDROXY-3-METHOXY-PHENYL)BUTAN-1-ONE

SMILES

CCC(NC)C(=O)C1=CC=C(O)C(OC)=C1

InChI

InChIKey=CYXZSSNTJZPLSB-UHFFFAOYSA-N
InChI=1S/C12H17NO3/c1-4-9(13-2)12(15)8-5-6-10(14)11(7-8)16-3/h5-7,9,13-14H,4H2,1-3H3

HIDE SMILES / InChI

Approval Year

Unknown
139594
Name Type Language
2-METHYLAMINO-1-(4-HYDROXY-3-METHOXY-PHENYL)BUTAN-1-ONE
Systematic Name English
BK-MBDB-M1
Common Name English
1-BUTANONE, 1-(4-HYDROXY-3-METHOXYPHENYL)-2-(METHYLAMINO)-
Systematic Name English
Code System Code Type Description
FDA UNII
P4QKA2Z68S
Created by admin on Sat Dec 16 10:12:47 GMT 2023 , Edited by admin on Sat Dec 16 10:12:47 GMT 2023
PRIMARY
PUBCHEM
129844539
Created by admin on Sat Dec 16 10:12:47 GMT 2023 , Edited by admin on Sat Dec 16 10:12:47 GMT 2023
PRIMARY
CAS
1213250-94-2
Created by admin on Sat Dec 16 10:12:47 GMT 2023 , Edited by admin on Sat Dec 16 10:12:47 GMT 2023
PRIMARY
PARENT (METABOLITE)
Structure of BUTYLONE
NIH
NCATS
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