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Details

Stereochemistry ACHIRAL
Molecular Formula C2H4O7P2.2Ca
Molecular Weight 282.152
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of DICALCIUM ETIDRONATE

SMILES

[Ca++].[Ca++].CC(O)(P([O-])([O-])=O)P([O-])([O-])=O

InChI

InChIKey=TUBWTBBJUXNAAK-UHFFFAOYSA-J
InChI=1S/C2H8O7P2.2Ca/c1-2(3,10(4,5)6)11(7,8)9;;/h3H,1H3,(H2,4,5,6)(H2,7,8,9);;/q;2*+2/p-4

HIDE SMILES / InChI

Molecular Formula C2H4O7P2
Molecular Weight 201.9965
Charge -4
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

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 18:30:36 UTC 2023
Edited
by admin
on Fri Dec 15 18:30:36 UTC 2023
Record UNII
K49SH0Z84H
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
DICALCIUM ETIDRONATE
Common Name English
PHOSPHONIC ACID, (1-HYDROXYETHYLIDENE)BIS-, CALCIUM SALT (1:2)
Systematic Name English
CALCIUM 1-HYDROXYETHYLIDENEDIPHOSPHONATE (2:1)
Systematic Name English
PHOSPHONIC ACID, P,P'-(1-HYDROXYETHYLIDENE)BIS-, CALCIUM SALT (1:2)
Systematic Name English
PHOSPHONIC ACID, (1-HYDROXYETHYLIDENE)DI-, CALCIUM SALT (1:2)
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID00955748
Created by admin on Fri Dec 15 18:30:36 UTC 2023 , Edited by admin on Fri Dec 15 18:30:36 UTC 2023
PRIMARY
FDA UNII
K49SH0Z84H
Created by admin on Fri Dec 15 18:30:36 UTC 2023 , Edited by admin on Fri Dec 15 18:30:36 UTC 2023
PRIMARY
CAS
34204-90-5
Created by admin on Fri Dec 15 18:30:36 UTC 2023 , Edited by admin on Fri Dec 15 18:30:36 UTC 2023
PRIMARY
PUBCHEM
156591
Created by admin on Fri Dec 15 18:30:36 UTC 2023 , Edited by admin on Fri Dec 15 18:30:36 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE