CHLORMERODRIN HG 197

Synopsis, Chemistry

DOSSIERs // Finished Dosage Formulations

1 Dossiers, 1 FDA Orange Book

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Also known as: D03465, Q27252269

Molecular Formula

C₅H₁₁ClHgN₂O₂

Molecular Weight

363.57 g/mol

InChI Key

BJFGVYCULWBXKF-WUYZZQIKSA-M

Chlormerodrin Hg-197 is a radiolabelled form of chlormerodrin, an organomercury compound that was previously used as a diuretic. Its radiolabelled form was used as diagnostics in brain scans.

1 2D Structure

Chlormerodrin Hg-197

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

[3-(carbamoylamino)-2-methoxypropyl]-chloro(197Hg)mercury-197

2.1.2 InChI

InChI=1S/C5H11N2O2.ClH.Hg/c1-4(9-2)3-7-5(6)8;;/h4H,1,3H2,2H3,(H3,6,7,8);1H;/q;;+1/p-1/i;;1-4

2.1.3 InChI Key

BJFGVYCULWBXKF-WUYZZQIKSA-M

2.1.4 Canonical SMILES

COC(CNC(=O)N)C[Hg]Cl

2.1.5 Isomeric SMILES

COC(CNC(=O)N)C[197Hg]Cl

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. D03465

2. Q27252269

2.3 Create Date

2006-11-22

3 Chemical and Physical Properties

Molecular Formula	C₅H₁₁ClHgN₂O₂
Molecular Weight	363.57 g/mol
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	4
Exact Mass	363.01812 g/mol
Monoisotopic Mass	363.01812 g/mol
Topological Polar Surface Area	64.4 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	125
Isotope Atom Count	1
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1