MERBAPHEN

Details

Stereochemistry	ACHIRAL
Molecular Formula	C8H11N2O3.C8H5ClHgO3.Na
Molecular Weight	591.34
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[Na+].CCC1(CC)C(=O)NC([O-])=NC1=O.[O-]C(=O)COC2=C(Cl)C=C([Hg+])C=C2

InChI

InChIKey=QUHAJQTWGULPBQ-UHFFFAOYSA-L

InChI=1S/C8H6ClO3.C8H12N2O3.Hg.Na/c9-6-3-1-2-4-7(6)12-5-8(10)11;1-3-8(4-2)5(11)9-7(13)10-6(8)12;;/h2-4H,5H2,(H,10,11);3-4H2,1-2H3,(H2,9,10,11,12,13);;/q;;2*+1/p-2

HIDE SMILES / InChI

Molecular Formula	C8H5ClHgO3
Molecular Weight	385.17
Charge	0
Count

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

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Molecular Formula	C8H12N2O3
Molecular Weight	184.1925
Charge	0
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 `Mon Mar 31 18:03:09 GMT 2025` Edited by `admin` on `Mon Mar 31 18:03:09 GMT 2025`
Record UNII	2LN1O9240E
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

MERCURY(1-), (4-(CARBOXYMETHOXY)-3-CHLOROPHENYL)(5,5-DIETHYL-2,4,6(1H,3H,5H)-PYRIMIDINETRIONATO-O(SUP 2))-, MONOSODIUM SALT

Preferred Name

English

MERBAPHEN

Common Name

English

MERCURY(1-), (4-(CARBOXYMETHOXY)-3-CHLOROPHENYL)(5,5-DIETHYL-2,4,6(1H,3H,5H)-PYRIMIDINETRIONATO-O2)-, MONOSODIUM SALT

Common Name

English

Sodium (4-(carboxylatomethoxy)-3-chlorophenyl)(5,5-diethyl-4,6-dioxo-1,4,5,6-tetrahydropyrimidin-2-yloxy)mercury

Systematic Name

English

Code System Code Type Description

FDA UNII

2LN1O9240E