Oradon [WHO-DD]

HCID 12945

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Basic information

CAS: 747-23-9
Standard SMILES: COC([CH2][Hg])CN1C(=O)CCC1=O.Cn1c(=O)c2[nH]cnc2n(C)c1=O.O
InChIKey: JYWRYZOMVPVVTN-UHFFFAOYSA-N
Molecular formula: C15H22HgN5O6
Average molar mass: 568.96 g/mol
Monoisotopic mass: 570.127652

Names & identifiers

Preferred name: Oradon [WHO-DD]
IUPAC: 1,3-dimethyl-7H-purine-2,6-dione;[3-(2,5-dioxopyrrolidin-1-yl)-2-methoxypropyl]mercury;hydrate

Names & synonyms

747-23-9Oradon [WHO-DD]UNII-QMT53UYP1VDTXSID801334210[3-(2,5-Dioxopyrrolidin-1-yl)-2-methoxypropyl](hydroxido)mercury--1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione (1/1)

Database identifiers

CAS: 747-23-9
PubChem CID: 12945
DTXSID: DTXSID801334210

Properties

Computed structural properties

Topological polar surface area: 117 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 7
Rotatable bonds: 5
Heavy atoms: 27
Formal charge: 0
Complexity: 473

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