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Details

Stereochemistry ACHIRAL
Molecular Formula 2C7H5NO3.Al.Ca.HO.8H2O
Molecular Weight 530.428
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ALUMINOPARAAMINOSALICYLATE CALCIUM HYDRATE

SMILES

O.O.O.O.O.O.O.O.[OH-].[Al+3].[Ca++].NC1=CC=C(C([O-])=O)C([O-])=C1.NC2=CC=C(C([O-])=O)C([O-])=C2

InChI

InChIKey=XWGWNNYRGUYFEE-UHFFFAOYSA-I
InChI=1S/2C7H7NO3.Al.Ca.9H2O/c2*8-4-1-2-5(7(10)11)6(9)3-4;;;;;;;;;;;/h2*1-3,9H,8H2,(H,10,11);;;9*1H2/q;;+3;+2;;;;;;;;;/p-5

HIDE SMILES / InChI

Molecular Formula Ca
Molecular Weight 40.078
Charge 2
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C7H5NO3
Molecular Weight 151.1195
Charge -2
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula HO
Molecular Weight 17.0073
Charge -1
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula Al
Molecular Weight 26.9815
Charge 3
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Aluminoparaaminosalicylate calcium hydrate is antimicrobial agents and anti-inflammatory agent for topical and oral use. Para-aminosalicylic acid is an active component of Aluminoparaaminosalicylate calcium. Para-aminosalicylic acid has been shown to be a pro-drug and it is incorporated into the folate pathway by dihydropteroate synthase (DHPS) and dihydrofolate synthase (DHFS) to generate a hydroxyl dihydrofolate antimetabolite, which in turn inhibits dihydrofolate reductase (DHFR) enzymatic activity.

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 07:34:42 GMT 2023
Edited
by admin
on Sat Dec 16 07:34:42 GMT 2023
Record UNII
LB2WOH22BE
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ALUMINOPARAAMINOSALICYLATE CALCIUM HYDRATE
JAN  
Common Name English
ALUMINATE(2-), BIS(4-AMINO-2-HYDROXYBENZOATO(2-)-O1,O2)AQUAHYDROXY-, CALCIUM (1:1), HEPTAHYDRATE
Common Name English
ALUMINOPARAAMINOSALICYLATE CALCIUM
Common Name English
ALUMINO P-AMINOSALICYLATE CALCIUM
Common Name English
ALUMINOPARAAMINOSALICYLATE CALCIUM HYDRATE [JAN]
Common Name English
Code System Code Type Description
SMS_ID
300000039653
Created by admin on Sat Dec 16 07:34:42 GMT 2023 , Edited by admin on Sat Dec 16 07:34:42 GMT 2023
PRIMARY
PUBCHEM
23724809
Created by admin on Sat Dec 16 07:34:42 GMT 2023 , Edited by admin on Sat Dec 16 07:34:42 GMT 2023
PRIMARY
EVMPD
SUB120495
Created by admin on Sat Dec 16 07:34:42 GMT 2023 , Edited by admin on Sat Dec 16 07:34:42 GMT 2023
PRIMARY
ChEMBL
CHEMBL2109014
Created by admin on Sat Dec 16 07:34:42 GMT 2023 , Edited by admin on Sat Dec 16 07:34:42 GMT 2023
PRIMARY
FDA UNII
LB2WOH22BE
Created by admin on Sat Dec 16 07:34:42 GMT 2023 , Edited by admin on Sat Dec 16 07:34:42 GMT 2023
PRIMARY
EPA CompTox
DTXSID90209227
Created by admin on Sat Dec 16 07:34:42 GMT 2023 , Edited by admin on Sat Dec 16 07:34:42 GMT 2023
PRIMARY
CAS
60491-70-5
Created by admin on Sat Dec 16 07:34:42 GMT 2023 , Edited by admin on Sat Dec 16 07:34:42 GMT 2023
PRIMARY
Related Record Type Details
ANHYDROUS->SOLVATE