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

Details

Stereochemistry RACEMIC
Molecular Formula C16H24N2O4.ClH
Molecular Weight 344.834
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of DIACETOLOL HYDROCHLORIDE

SMILES

Cl.CC(C)NCC(O)COC1=C(C=C(NC(C)=O)C=C1)C(C)=O

InChI

InChIKey=RRLYGXRMVLYFNX-UHFFFAOYSA-N
InChI=1S/C16H24N2O4.ClH/c1-10(2)17-8-14(21)9-22-16-6-5-13(18-12(4)20)7-15(16)11(3)19;/h5-7,10,14,17,21H,8-9H2,1-4H3,(H,18,20);1H

HIDE SMILES / InChI

Molecular Formula C16H24N2O4
Molecular Weight 308.3728
Charge 0
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

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

Approval Year

Substance Class Chemical
Created
by admin
on Fri Dec 15 15:00:04 UTC 2023
Edited
by admin
on Fri Dec 15 15:00:04 UTC 2023
Record UNII
GN9199S55X
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
DIACETOLOL HYDROCHLORIDE
USAN   WHO-DD  
USAN  
Official Name English
ACETAMIDE, N-(3-ACETYL-4-(2-HYDROXY-3-((1-METHYLETHYL)AMINO)PROPOXY)PHENYL)-, MONOHYDROCHLORIDE, (±)-
Common Name English
DIACETOLOL HCL
Common Name English
NSC-326057
Code English
M&B-16942A
Code English
(±)-3'-ACETYL-4'-(2-HYDROXY-3-(ISOPROPYLAMINO)PROPOXY)ACETANILIDE MONOHYDROCHLORIDE
Systematic Name English
EU-4891
Code English
DIACETOLOL HYDROCHLORIDE [USAN]
Common Name English
M&B 16942A
Code English
Diacetolol hydrochloride [WHO-DD]
Common Name English
Code System Code Type Description
PUBCHEM
50893
Created by admin on Fri Dec 15 15:00:04 UTC 2023 , Edited by admin on Fri Dec 15 15:00:04 UTC 2023
PRIMARY
NCI_THESAURUS
C169904
Created by admin on Fri Dec 15 15:00:04 UTC 2023 , Edited by admin on Fri Dec 15 15:00:04 UTC 2023
PRIMARY
CAS
69796-04-9
Created by admin on Fri Dec 15 15:00:04 UTC 2023 , Edited by admin on Fri Dec 15 15:00:04 UTC 2023
PRIMARY
FDA UNII
GN9199S55X
Created by admin on Fri Dec 15 15:00:04 UTC 2023 , Edited by admin on Fri Dec 15 15:00:04 UTC 2023
PRIMARY
NSC
326057
Created by admin on Fri Dec 15 15:00:04 UTC 2023 , Edited by admin on Fri Dec 15 15:00:04 UTC 2023
PRIMARY
ChEMBL
CHEMBL2110821
Created by admin on Fri Dec 15 15:00:04 UTC 2023 , Edited by admin on Fri Dec 15 15:00:04 UTC 2023
PRIMARY
Related Record Type Details
ENANTIOMER -> RACEMATE
PARENT -> SALT/SOLVATE
ENANTIOMER -> RACEMATE
Related Record Type Details
IMPURITY -> PARENT
CHROMATOGRAPHIC PURITY (HPLC/UV)
EP
IMPURITY -> PARENT
CHROMATOGRAPHIC PURITY (HPLC/UV)
EP
Related Record Type Details
ACTIVE MOIETY