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

Details

Stereochemistry RACEMIC
Molecular Formula C3H6O2.Al.Cl
Molecular Weight 136.513
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of PGAC-112

SMILES

[Al+3].[Cl-].CC([O-])C[O-]

InChI

InChIKey=LDUKSRDTQXCSMD-UHFFFAOYSA-M
InChI=1S/C3H6O2.Al.ClH/c1-3(5)2-4;;/h3H,2H2,1H3;;1H/q-2;+3;/p-1

HIDE SMILES / InChI

Approval Year

Name Type Language
PGAC-112
Code English
2-CHLORO-4-METHYL-1,3,2-DIOXALUMOLANE
Systematic Name English
1,2-PROPANEDIOL, ALUMINUM COMPLEX
Common Name English
ALUMINUM, CHLORO(1,2-PROPANEDIOLATO(2-)-O,O')-
Systematic Name English
Code System Code Type Description
PUBCHEM
20396859
Created by admin on Sat Dec 16 04:53:37 GMT 2023 , Edited by admin on Sat Dec 16 04:53:37 GMT 2023
PRIMARY
CAS
15103-35-2
Created by admin on Sat Dec 16 04:53:37 GMT 2023 , Edited by admin on Sat Dec 16 04:53:37 GMT 2023
PRIMARY
FDA UNII
DZ3GL0SY28
Created by admin on Sat Dec 16 04:53:37 GMT 2023 , Edited by admin on Sat Dec 16 04:53:37 GMT 2023
PRIMARY