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Details

Stereochemistry RACEMIC
Molecular Formula C9H14HgN2O5.C7H8N4O2.Na.HO
Molecular Weight 650.97
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of MERALLURIDE SODIUM

SMILES

[OH-].[Na+].CN1C2=C(N=CN2)C(=O)N(C)C1=O.COC(C[Hg+])CNC(=O)NC(=O)CCC([O-])=O

InChI

InChIKey=BDFXZRBRZBBYDN-UHFFFAOYSA-L
InChI=1S/C9H15N2O5.C7H8N4O2.Hg.Na.H2O/c1-6(16-2)5-10-9(15)11-7(12)3-4-8(13)14;1-10-5-4(8-3-9-5)6(12)11(2)7(10)13;;;/h6H,1,3-5H2,2H3,(H,13,14)(H2,10,11,12,15);3H,1-2H3,(H,8,9);;;1H2/q;;2*+1;/p-2

HIDE SMILES / InChI

Molecular Formula C7H8N4O2
Molecular Weight 180.164
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
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
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula Na
Molecular Weight 22.98976928
Charge 1
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C9H14HgN2O5
Molecular Weight 430.81
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

Description

MERALLURIDE ACID is an organomercuric compound. It was used as a diuretic in a 1:1 mixture with theophylline.

Approval Year

Conditions

ConditionModalityTargetsHighest PhaseProduct
Primary
Mercuhydrin

Doses

AEs

PubMed

Substance Class Chemical
Record UNII
3P7B4Q5T8A
Record Status Validated (UNII)
Record Version