Acetazolamide-D3
Properties
- Molecular formula
- C4H3D3N4O3S2
- Molar mass
- 225.26 g/mol
- Exact mass
- 225.0070 Da
- logP
- -0.86Crippen estimate
- Polar surface area
- 115.0 Ų
- H-bond donors / acceptors
- 2 / 6
- Rotatable bonds
- 2
Hazards
No GHS classification is on file for this compound. That is not evidence that it is harmless.
Identifiers
CAS number
1189904-01-5SMILES
[2H]C([2H])([2H])C(=O)NC1=NN=C(S1)S(=O)(=O)NInChIKey
BZKPWHYZMXOIDC-FIBGUPNXSA-NInChI
InChI=1S/C4H6N4O3S2/c1-2(9)6-3-7-8-4(12-3)13(5,10)11/h1H3,(H2,5,10,11)(H,6,7,9)/i1D3Characterization data
Calculated from the structure, in the form journals print them.
[M + H]+
[M + H]+ Calcd for C4H4D3N4O3S2 226.0142[M + Na]+
[M + Na]+ Calcd for C4H3D3N4NaO3S2 247.9962[M − H]−
[M − H]− Calcd for C4H2D3N4O3S2 223.9997Elemental analysis
Anal. Calcd for C4H3D3N4O3S2: C, 21.33; H, 4.02; N, 24.87; S, 28.47.Weigh it out
Type any one amount. The others follow from the molar mass.
Work with Acetazolamide-D3
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.