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Details

Stereochemistry RACEMIC
Molecular Formula C14H13HgO5.C7H8N4O2.HO
Molecular Weight 659.01
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of MERCUMATILIN

SMILES

[OH-].CN1C2=C(NC=N2)C(=O)N(C)C1=O.COC(C[Hg+])CC3=CC=CC4=C3OC(=O)C(=C4)C(O)=O

InChI

InChIKey=IQHCCUCQCKCLOA-UHFFFAOYSA-M
InChI=1S/C14H13O5.C7H8N4O2.Hg.H2O/c1-8(18-2)6-9-4-3-5-10-7-11(13(15)16)14(17)19-12(9)10;1-10-5-4(8-3-9-5)6(12)11(2)7(10)13;;/h3-5,7-8H,1,6H2,2H3,(H,15,16);3H,1-2H3,(H,8,9);;1H2/q;;+1;/p-1

HIDE SMILES / InChI

Molecular Formula C14H13HgO5
Molecular Weight 461.84
Charge 1
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

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 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

Approval Year

Doses

Sourcing

Substance Class Chemical
Record UNII
8F267D5WDT
Record Status Validated (UNII)
Record Version