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Details

Stereochemistry ACHIRAL
Molecular Formula C4H8O6S
Molecular Weight 184.168
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of BUTYRIC ACID 4-SULFATE

SMILES

OC(=O)CCCOS(O)(=O)=O

InChI

InChIKey=DCJFAGMVTNNMBV-UHFFFAOYSA-N
InChI=1S/C4H8O6S/c5-4(6)2-1-3-10-11(7,8)9/h1-3H2,(H,5,6)(H,7,8,9)

HIDE SMILES / InChI

Molecular Formula C4H8O6S
Molecular Weight 184.168
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 Sat Dec 16 11:41:02 GMT 2023
Edited
by admin
on Sat Dec 16 11:41:02 GMT 2023
Record UNII
T7KXC1IIF9
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
BUTYRIC ACID 4-SULFATE
Common Name English
GHB‐sulfate
Common Name English
4-HYDROXYBUTYRIC ACID SULFATE ESTER
Common Name English
BUTYRIC ACID, 4-HYDROXY-, HYDROGEN SULFATE
Systematic Name English
4-(SULFOOXY)BUTANOIC ACID
Systematic Name English
Code System Code Type Description
FDA UNII
T7KXC1IIF9
Created by admin on Sat Dec 16 11:41:03 GMT 2023 , Edited by admin on Sat Dec 16 11:41:03 GMT 2023
PRIMARY
CAS
16899-85-7
Created by admin on Sat Dec 16 11:41:03 GMT 2023 , Edited by admin on Sat Dec 16 11:41:03 GMT 2023
PRIMARY
PUBCHEM
87734751
Created by admin on Sat Dec 16 11:41:03 GMT 2023 , Edited by admin on Sat Dec 16 11:41:03 GMT 2023
PRIMARY
Related Record Type Details
SALT/SOLVATE -> PARENT
Related Record Type Details
PARENT -> METABOLITE
Too variable to be used as a marker for GHB ingestion.