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Details

Stereochemistry ACHIRAL
Molecular Formula 2C7H7ClO6P2S.4Na.H2O
Molecular Weight 743.159
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of TILUDRONATE DISODIUM HEMIHYDRATE

SMILES

O.[Na+].[Na+].[Na+].[Na+].OP([O-])(=O)C(SC1=CC=C(Cl)C=C1)P(O)([O-])=O.OP([O-])(=O)C(SC2=CC=C(Cl)C=C2)P(O)([O-])=O

InChI

InChIKey=KDVKAYPVWJFARG-UHFFFAOYSA-J
InChI=1S/2C7H9ClO6P2S.4Na.H2O/c2*8-5-1-3-6(4-2-5)17-7(15(9,10)11)16(12,13)14;;;;;/h2*1-4,7H,(H2,9,10,11)(H2,12,13,14);;;;;1H2/q;;4*+1;/p-4

HIDE SMILES / InChI

Molecular Formula Na
Molecular Weight 22.9898
Charge 1
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C7H9ClO6P2S
Molecular Weight 318.608
Charge 0
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 11:13:00 UTC 2023
Edited
by admin
on Sat Dec 16 11:13:00 UTC 2023
Record UNII
39SMX0W5WK
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
TILUDRONATE DISODIUM HEMIHYDRATE
Common Name English
TILUDRONIC ACID DISODIUM SALT HEMIHYDRATE [MI]
Common Name English
P,P'-(((4-CHLOROPHENYL)THIO)METHYLENE)BISPHOSPHONIC ACID, DISODIUM HEMIHYDRATE
Systematic Name English
PHOSPHONIC ACID, (((4-CHLOROPHENYL)THIO)METHYLENE)BIS-, DISODIUM SALT, HYDRATE (2:1)
Systematic Name English
Code System Code Type Description
CAS
155453-10-4
Created by admin on Sat Dec 16 11:13:01 UTC 2023 , Edited by admin on Sat Dec 16 11:13:01 UTC 2023
PRIMARY
PUBCHEM
72941702
Created by admin on Sat Dec 16 11:13:01 UTC 2023 , Edited by admin on Sat Dec 16 11:13:01 UTC 2023
PRIMARY
MERCK INDEX
m10868
Created by admin on Sat Dec 16 11:13:01 UTC 2023 , Edited by admin on Sat Dec 16 11:13:01 UTC 2023
PRIMARY
FDA UNII
39SMX0W5WK
Created by admin on Sat Dec 16 11:13:01 UTC 2023 , Edited by admin on Sat Dec 16 11:13:01 UTC 2023
PRIMARY
Related Record Type Details
ANHYDROUS->SOLVATE