Metformin-D6, hydrochloride

C₄H₆D₆ClN₅CAS 1185166-01-1171.66 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₄H₆D₆ClN₅
Molar mass: 171.66 g/mol
Exact mass: 171.1158 Da
logP: -0.82Crippen estimate
Polar surface area: 91.5 Å²
H-bond donors / acceptors: 3 / 1
Rotatable bonds: 0

Identifiers

CAS number

1185166-01-1

SMILES

[2H]C([2H])([2H])N(C(=N)N=C(N)N)C([2H])([2H])[2H].Cl

InChIKey

OETHQSJEHLVLGH-TXHXQZCNSA-N

InChI

InChI=1S/C4H11N5.ClH/c1-9(2)4(7)8-3(5)6;/h1-2H3,(H5,5,6,7,8);1H/i1D3,2D3;

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Work with Metformin-D6, hydrochloride

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Urea hydrochloride506-89-831 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

Metformin hydrochloride1115-70-4

Elsewhere

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