Metformin-D6, hydrochloride

C4H6D6ClN5CAS 1185166-01-1171.66 g/mol

DDDNNHNNH2NH2DDDHCl
Guanidine

Properties

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

Hazards

Warning
Irritant (GHS07)

Aggregated from 39 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P264+P265, P270, P280, P301+P317, P302+P352, P305+P351+P338, P321, P330, P332+P317, P337+P317, P362+P364, P501

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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Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

Similar compounds

Tanimoto similarity of circular fingerprints over the whole catalogue.

Elsewhere