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

Details

Stereochemistry ACHIRAL
Molecular Formula 2C6H5O7.3Zn.2H2O
Molecular Weight 610.457
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ZINC CITRATE DIHYDRATE

SMILES

O.O.[Zn++].[Zn++].[Zn++].OC(CC([O-])=O)(CC([O-])=O)C([O-])=O.OC(CC([O-])=O)(CC([O-])=O)C([O-])=O

InChI

InChIKey=OXAGUGIXGVHDGD-UHFFFAOYSA-H
InChI=1S/2C6H8O7.2H2O.3Zn/c2*7-3(8)1-6(13,5(11)12)2-4(9)10;;;;;/h2*13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);2*1H2;;;/q;;;;3*+2/p-6

HIDE SMILES / InChI

Molecular Formula C6H6O7
Molecular Weight 190.1076
Charge -2
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula Zn
Molecular Weight 65.409
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

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 11:39:38 UTC 2023
Edited
by admin
on Sat Dec 16 11:39:38 UTC 2023
Record UNII
021IBV57IL
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ZINC CITRATE DIHYDRATE
Systematic Name English
1,2,3-PROPANETRICARBOXYLIC ACID, 2-HYDROXY-, ZINC SALT (2:3), DIHYDRATE
Systematic Name English
Zinc citrate dihydrate [WHO-DD]
Common Name English
1,2,3-PROPANETRICARBOXYLIC ACID, 2-HYDROXY-, ZINC SALT, HYDRATE (2:3:2)
Systematic Name English
Code System Code Type Description
FDA UNII
021IBV57IL
Created by admin on Sat Dec 16 11:39:38 UTC 2023 , Edited by admin on Sat Dec 16 11:39:38 UTC 2023
PRIMARY
SMS_ID
100000175354
Created by admin on Sat Dec 16 11:39:38 UTC 2023 , Edited by admin on Sat Dec 16 11:39:38 UTC 2023
PRIMARY
EPA CompTox
DTXSID40583827
Created by admin on Sat Dec 16 11:39:38 UTC 2023 , Edited by admin on Sat Dec 16 11:39:38 UTC 2023
PRIMARY
CAS
5990-32-9
Created by admin on Sat Dec 16 11:39:38 UTC 2023 , Edited by admin on Sat Dec 16 11:39:38 UTC 2023
PRIMARY
PUBCHEM
16213234
Created by admin on Sat Dec 16 11:39:38 UTC 2023 , Edited by admin on Sat Dec 16 11:39:38 UTC 2023
PRIMARY
Related Record Type Details
ANHYDROUS->SOLVATE
Related Record Type Details
ACTIVE MOIETY