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Details

Stereochemistry RACEMIC
Molecular Formula C21H19NO3S
Molecular Weight 365.445
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ALKOFANONE

SMILES

NC1=CC=C(C=C1)S(=O)(=O)C(CC(=O)C2=CC=CC=C2)C3=CC=CC=C3

InChI

InChIKey=VWEMSUCCUQSLME-UHFFFAOYSA-N
InChI=1S/C21H19NO3S/c22-18-11-13-19(14-12-18)26(24,25)21(17-9-5-2-6-10-17)15-20(23)16-7-3-1-4-8-16/h1-14,21H,15,22H2

HIDE SMILES / InChI

Description

ALKOFANONE is a dihydrochalcone used as an antidiarrheal agent.

Approval Year

1956
94
Conditions

Conditions

ConditionModalityTargetsHighest PhaseProduct
Primary
Not Provided
504
Unknown

Approved Use

Unknown
Sourcing

Sourcing

Vendor/AggregatorIDURL
ABI Chem
AC1L2N8M
NovoSeek
24145
ZINC
ZINC000002036959
http://zinc15.docking.org/substances/ZINC000002036959
ZINC
ZINC000002036960
http://zinc15.docking.org/substances/ZINC000002036960
eMolecules
260194017
PubMed

PubMed

TitleDatePubMed
Alkofanone in the treatment of simple diarrhea in children.
1961 Oct
Name Type Language
ALKOFANONE
MI  
Common Name English
(±)-3-((4-AMINOPHENYL)SULFONYL)-1,3-DIPHENYL-1-PROPANONE
Systematic Name English
ALKOFANONE [MI]
Common Name English
3-((4-AMINOPHENYL)SULFONYL)-1,3-DIPHENYL-1-PROPANONE
Systematic Name English
ALFONE
Common Name English
Code System Code Type Description
MERCK INDEX
m548
Created by admin on Fri Dec 15 18:41:51 GMT 2023 , Edited by admin on Fri Dec 15 18:41:51 GMT 2023
PRIMARY Merck Index
DRUG CENTRAL
121
Created by admin on Fri Dec 15 18:41:51 GMT 2023 , Edited by admin on Fri Dec 15 18:41:51 GMT 2023
PRIMARY
PUBCHEM
24145
Created by admin on Fri Dec 15 18:41:51 GMT 2023 , Edited by admin on Fri Dec 15 18:41:51 GMT 2023
PRIMARY
FDA UNII
96JNQ0UCWD
Created by admin on Fri Dec 15 18:41:51 GMT 2023 , Edited by admin on Fri Dec 15 18:41:51 GMT 2023
PRIMARY
EPA CompTox
DTXSID40996736
Created by admin on Fri Dec 15 18:41:51 GMT 2023 , Edited by admin on Fri Dec 15 18:41:51 GMT 2023
PRIMARY
CAS
7527-94-8
Created by admin on Fri Dec 15 18:41:51 GMT 2023 , Edited by admin on Fri Dec 15 18:41:51 GMT 2023
PRIMARY
SUBSTANCE RECORD
Structure of ALKOFANONE
NIH
NCATS
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