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Details

Stereochemistry ACHIRAL
Molecular Formula 2C6H5O5S.Ca.H2O
Molecular Weight 436.425
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of CALCIUM DOBESILATE MONOHYDRATE

SMILES

O.[Ca++].OC1=CC=C(O)C(=C1)S([O-])(=O)=O.OC2=CC=C(O)C(=C2)S([O-])(=O)=O

InChI

InChIKey=JMTQBGBMQZPWCS-UHFFFAOYSA-L
InChI=1S/2C6H6O5S.Ca.H2O/c2*7-4-1-2-5(8)6(3-4)12(9,10)11;;/h2*1-3,7-8H,(H,9,10,11);;1H2/q;;+2;/p-2

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 H2O
Molecular Weight 18.0153
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C6H5O5S
Molecular Weight 189.166
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 Fri Dec 15 18:14:24 UTC 2023
Edited
by admin
on Fri Dec 15 18:14:24 UTC 2023
Record UNII
M0ROX9374L
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
CALCIUM DOBESILATE MONOHYDRATE
EP  
Common Name English
CALCIUM DOBESILATE MONOHYDRATE [EP MONOGRAPH]
Common Name English
BENZENESULFONIC ACID, 2,5-DIHYDROXY-, CALCIUM SALT, MONOHYDRATE
Common Name English
BENZENESULFONIC ACID, 2,5-DIHYDROXY-, CALCIUM SALT, HYDRATE (2:1:1)
Common Name English
Code System Code Type Description
SMS_ID
100000091966
Created by admin on Fri Dec 15 18:14:24 UTC 2023 , Edited by admin on Fri Dec 15 18:14:24 UTC 2023
PRIMARY
PUBCHEM
45358052
Created by admin on Fri Dec 15 18:14:24 UTC 2023 , Edited by admin on Fri Dec 15 18:14:24 UTC 2023
PRIMARY
CAS
117552-78-0
Created by admin on Fri Dec 15 18:14:24 UTC 2023 , Edited by admin on Fri Dec 15 18:14:24 UTC 2023
PRIMARY
FDA UNII
M0ROX9374L
Created by admin on Fri Dec 15 18:14:24 UTC 2023 , Edited by admin on Fri Dec 15 18:14:24 UTC 2023
PRIMARY
CAS
117552-79-1
Created by admin on Fri Dec 15 18:14:24 UTC 2023 , Edited by admin on Fri Dec 15 18:14:24 UTC 2023
ALTERNATIVE
EVMPD
SUB11768MIG
Created by admin on Fri Dec 15 18:14:24 UTC 2023 , Edited by admin on Fri Dec 15 18:14:24 UTC 2023
PRIMARY
Related Record Type Details
ANHYDROUS->SOLVATE
PARENT -> SALT/SOLVATE