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

Details

Stereochemistry RACEMIC
Molecular Formula C4H8O3
Molecular Weight 104.1045
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3-HYDROXYBUTYRIC ACID, (±)-

SMILES

CC(O)CC(O)=O

InChI

InChIKey=WHBMMWSBFZVSSR-UHFFFAOYSA-N
InChI=1S/C4H8O3/c1-3(5)2-4(6)7/h3,5H,2H2,1H3,(H,6,7)

HIDE SMILES / InChI

Molecular Formula C4H8O3
Molecular Weight 104.1045
Charge 0
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

Approval Year

Patents

Patents

Substance Class Chemical
Created
by admin
on Fri Dec 15 18:44:34 GMT 2023
Edited
by admin
on Fri Dec 15 18:44:34 GMT 2023
Record UNII
TZP1275679
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
3-HYDROXYBUTYRIC ACID, (±)-
Common Name English
.BETA.HYDROXYBUTYRIC ACID
Systematic Name English
.BETA.-HYDROXYBUTYRIC ACID
MI  
Systematic Name English
(±)-3-HYDROXYBUTANOIC ACID
Systematic Name English
BETA-HYDROXY-BUTYRATE
Common Name English
3-HYDROXYBUTYRIC ACID
Systematic Name English
HYDROXYBUTYRIC ACID, DL-
Common Name English
D,L-3-HYDROXYBUTYRIC ACID
Common Name English
NSC-3806
Code English
(±)-3-HYDROXYBUTYRIC ACID
Systematic Name English
BETA-HYDROXYBUTYRIC ACID
Systematic Name English
3-HYDROXY-BUTANOIC ACID
Systematic Name English
D,L-3 HYDROXYBUTYRATE
Common Name English
3-HYDROXYBUTYRIC ACID [INCI]
Common Name English
.BETA.-HYDROXYBUTYRIC ACID [MI]
Common Name English
BETA-HYDROXYBUTYRATE
Common Name English
Beta-hydroxybutyric acid [WHO-DD]
Common Name English
Classification Tree Code System Code
WIKIPEDIA Designer-drugs-beta-Hydroxybutyric acid
Created by admin on Fri Dec 15 18:44:34 GMT 2023 , Edited by admin on Fri Dec 15 18:44:34 GMT 2023
Code System Code Type Description
CAS
300-85-6
Created by admin on Fri Dec 15 18:44:34 GMT 2023 , Edited by admin on Fri Dec 15 18:44:34 GMT 2023
PRIMARY
FDA UNII
TZP1275679
Created by admin on Fri Dec 15 18:44:34 GMT 2023 , Edited by admin on Fri Dec 15 18:44:34 GMT 2023
PRIMARY
NSC
3806
Created by admin on Fri Dec 15 18:44:34 GMT 2023 , Edited by admin on Fri Dec 15 18:44:34 GMT 2023
PRIMARY
PUBCHEM
441
Created by admin on Fri Dec 15 18:44:34 GMT 2023 , Edited by admin on Fri Dec 15 18:44:34 GMT 2023
PRIMARY
SMS_ID
100000181212
Created by admin on Fri Dec 15 18:44:34 GMT 2023 , Edited by admin on Fri Dec 15 18:44:34 GMT 2023
PRIMARY
WIKIPEDIA
beta-Hydroxybutyric acid
Created by admin on Fri Dec 15 18:44:34 GMT 2023 , Edited by admin on Fri Dec 15 18:44:34 GMT 2023
PRIMARY
EVMPD
SUB194728
Created by admin on Fri Dec 15 18:44:34 GMT 2023 , Edited by admin on Fri Dec 15 18:44:34 GMT 2023
PRIMARY
CAS
625-71-8
Created by admin on Fri Dec 15 18:44:34 GMT 2023 , Edited by admin on Fri Dec 15 18:44:34 GMT 2023
SUPERSEDED
MERCK INDEX
m6125
Created by admin on Fri Dec 15 18:44:34 GMT 2023 , Edited by admin on Fri Dec 15 18:44:34 GMT 2023
PRIMARY Merck Index
CHEBI
20067
Created by admin on Fri Dec 15 18:44:34 GMT 2023 , Edited by admin on Fri Dec 15 18:44:34 GMT 2023
PRIMARY
ECHA (EC/EINECS)
210-908-0
Created by admin on Fri Dec 15 18:44:34 GMT 2023 , Edited by admin on Fri Dec 15 18:44:34 GMT 2023
ALTERNATIVE
EPA CompTox
DTXSID60859511
Created by admin on Fri Dec 15 18:44:34 GMT 2023 , Edited by admin on Fri Dec 15 18:44:34 GMT 2023
PRIMARY
ECHA (EC/EINECS)
206-099-9
Created by admin on Fri Dec 15 18:44:34 GMT 2023 , Edited by admin on Fri Dec 15 18:44:34 GMT 2023
PRIMARY
Related Record Type Details
LABELED -> NON-LABELED
SALT/SOLVATE -> PARENT
SALT/SOLVATE -> PARENT
Related Record Type Details
ACTIVE MOIETY