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Details

Stereochemistry ACHIRAL
Molecular Formula 2C13H16N3O4S.Mg.6H2O
Molecular Weight 753.094
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of METAMIZOLE MAGNESIUM HEXAHYDRATE

SMILES

O.O.O.O.O.O.[Mg++].CN(CS([O-])(=O)=O)C1=C(C)N(C)N(C1=O)C2=CC=CC=C2.CN(CS([O-])(=O)=O)C3=C(C)N(C)N(C3=O)C4=CC=CC=C4

InChI

InChIKey=RNNVUENCSXWPMS-UHFFFAOYSA-L
InChI=1S/2C13H17N3O4S.Mg.6H2O/c2*1-10-12(14(2)9-21(18,19)20)13(17)16(15(10)3)11-7-5-4-6-8-11;;;;;;;/h2*4-8H,9H2,1-3H3,(H,18,19,20);;6*1H2/q;;+2;;;;;;/p-2

HIDE SMILES / InChI

Molecular Formula Mg
Molecular Weight 24.305
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 C13H16N3O4S
Molecular Weight 310.349
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 19:08:18 UTC 2023
Edited
by admin
on Sat Dec 16 19:08:18 UTC 2023
Record UNII
D247KUF39V
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
METAMIZOLE MAGNESIUM HEXAHYDRATE
Common Name English
Metamizole magnesium hexahydrate [WHO-DD]
Common Name English
METHANESULFONIC ACID, 1-((2,3-DIHYDRO-1,5-DIMETHYL-3-OXO-2-PHENYL-1H-PYRAZOL-4-YL)METHYLAMINO)-, MAGNESIUM SALT, HYDRATE (2:1:6)
Common Name English
METHANESULFONIC ACID, ((2,3-DIHYDRO-1,5-DIMETHYL-3-OXO-2-PHENYL-1H-PYRAZOL-4-YL)METHYLAMINO)-, MAGNESIUM SALT, HEXAHYDRATE
Systematic Name English
Code System Code Type Description
FDA UNII
D247KUF39V
Created by admin on Sat Dec 16 19:08:18 UTC 2023 , Edited by admin on Sat Dec 16 19:08:18 UTC 2023
PRIMARY
PUBCHEM
163203508
Created by admin on Sat Dec 16 19:08:18 UTC 2023 , Edited by admin on Sat Dec 16 19:08:18 UTC 2023
PRIMARY
CAS
667459-72-5
Created by admin on Sat Dec 16 19:08:18 UTC 2023 , Edited by admin on Sat Dec 16 19:08:18 UTC 2023
PRIMARY
SMS_ID
100000127940
Created by admin on Sat Dec 16 19:08:18 UTC 2023 , Edited by admin on Sat Dec 16 19:08:18 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE
ANHYDROUS->SOLVATE
Related Record Type Details
ACTIVE MOIETY