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Details

Stereochemistry ACHIRAL
Molecular Formula 2C6H5O7.3Ca
Molecular Weight 498.433
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of CALCIUM CITRATE ANHYDROUS

SMILES

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

InChI

InChIKey=FNAQSUUGMSOBHW-UHFFFAOYSA-H
InChI=1S/2C6H8O7.3Ca/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);;;/q;;3*+2/p-6

HIDE SMILES / InChI

Molecular Formula C6H5O7
Molecular Weight 189.0997
Charge -3
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

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

Approval Year

Substance Class Chemical
Created
by admin
on Fri Dec 15 18:59:48 UTC 2023
Edited
by admin
on Fri Dec 15 18:59:48 UTC 2023
Record UNII
86117BWO7P
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
CALCIUM CITRATE ANHYDROUS
Common Name English
1,2,3-PROPANETRICARBOXYLIC ACID, 2-HYDROXY-, CALCIUM SALT (2:3)
Common Name English
Calcium citrate [WHO-DD]
Common Name English
CALCIUM CITRATE [HSDB]
Common Name English
INS NO.333(III)
Code English
TRICALCIUM CITRATE
Systematic Name English
CALCIUM CITRATE [MI]
Common Name English
INS-333(III)
Code English
E-333(III)
Code English
Classification Tree Code System Code
CODEX ALIMENTARIUS (GSFA) INS-333(III)
Created by admin on Fri Dec 15 18:59:48 UTC 2023 , Edited by admin on Fri Dec 15 18:59:48 UTC 2023
JECFA EVALUATION INS-333(III)
Created by admin on Fri Dec 15 18:59:48 UTC 2023 , Edited by admin on Fri Dec 15 18:59:48 UTC 2023
Code System Code Type Description
RXCUI
2106283
Created by admin on Fri Dec 15 18:59:48 UTC 2023 , Edited by admin on Fri Dec 15 18:59:48 UTC 2023
PRIMARY
CAS
7693-13-2
Created by admin on Fri Dec 15 18:59:48 UTC 2023 , Edited by admin on Fri Dec 15 18:59:48 UTC 2023
NON-SPECIFIC STOICHIOMETRY
PUBCHEM
13136
Created by admin on Fri Dec 15 18:59:48 UTC 2023 , Edited by admin on Fri Dec 15 18:59:48 UTC 2023
PRIMARY
MERCK INDEX
m2933
Created by admin on Fri Dec 15 18:59:48 UTC 2023 , Edited by admin on Fri Dec 15 18:59:48 UTC 2023
PRIMARY Merck Index
CAS
813-94-5
Created by admin on Fri Dec 15 18:59:48 UTC 2023 , Edited by admin on Fri Dec 15 18:59:48 UTC 2023
PRIMARY
ECHA (EC/EINECS)
212-391-7
Created by admin on Fri Dec 15 18:59:48 UTC 2023 , Edited by admin on Fri Dec 15 18:59:48 UTC 2023
PRIMARY
EPA CompTox
DTXSID7061148
Created by admin on Fri Dec 15 18:59:48 UTC 2023 , Edited by admin on Fri Dec 15 18:59:48 UTC 2023
PRIMARY
FDA UNII
86117BWO7P
Created by admin on Fri Dec 15 18:59:48 UTC 2023 , Edited by admin on Fri Dec 15 18:59:48 UTC 2023
PRIMARY
HSDB
5756
Created by admin on Fri Dec 15 18:59:48 UTC 2023 , Edited by admin on Fri Dec 15 18:59:48 UTC 2023
PRIMARY
SMS_ID
100000076582
Created by admin on Fri Dec 15 18:59:48 UTC 2023 , Edited by admin on Fri Dec 15 18:59:48 UTC 2023
PRIMARY
EVMPD
SUB13170MIG
Created by admin on Fri Dec 15 18:59:48 UTC 2023 , Edited by admin on Fri Dec 15 18:59:48 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE
SOLVATE->ANHYDROUS
Related Record Type Details
ACTIVE MOIETY