Cantharidin

C10H12O4CAS 56-25-7196.20 g/mol

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Acid anhydrideEther

Properties

Molecular formula
C10H12O4
Molar mass
196.20 g/mol
Exact mass
196.0736 Da
Density
1.38 g/mL
Melting point
218 °C
logP
0.64Crippen estimate
Polar surface area
52.6 Ų
H-bond donors / acceptors
0 / 4
Rotatable bonds
0
Stereocentres
R, S, R, Sin SMILES atom order

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless.

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Identifiers

CAS number
56-25-7
SMILES
C[C@@]12C(=O)OC(=O)[C@]1(C)[C@H]1CC[C@@H]2O1
InChIKey
DHZBEENLJMYSHQ-XCVPVQRUNA-N
InChI
InChI=1/C10H12O4/c1-9-5-3-4-6(13-5)10(9,2)8(12)14-7(9)11/h5-6H,3-4H2,1-2H3/t5-,6+,9+,10-

Weigh it out

Type any one amount. The others follow from the molar mass and density.

Names and synonyms

12 names
  • 4,7-Epoxyisobenzofuran-1,3-dione, hexahydro-3a,7a-dimethyl-, (3aR,4S,7R,7aS)-rel-
  • 7-Oxabicyclo[2.2.1]heptane-2,3-dicarboxylic anhydride, 2,3-dimethyl-
  • 4,7-Epoxyisobenzofuran-1,3-dione, hexahydro-3a,7a-dimethyl-, (3aα,4β,7β,7aα)-
  • Rel-(3aR,4S,7R,7aS)-Hexahydro-3a,7a-dimethyl-4,7-epoxyisobenzofuran-1,3-dione
  • Cantharides camphor
  • exo-1,2-cis-Dimethyl-3,6-epoxyhexahydrophthalic anhydride
  • Cantharidine
  • Kantaridin
  • 1,2-Dimethyl-3,6-epoxyperhydrophthalic anhydride
  • Cantharone
  • NSC 61805
  • Canthacur

Work with Cantharidin

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

Pivalic anhydride1538-75-641 % similar 2,2-Dimethylsuccinic anhydride17347-61-433 % similar Methylhexahydrophthalic anhydride25550-51-033 % similar 1,8,8-Trimethyl-3-oxabicyclo[3.2.1]octane-2,4-dione595-30-233 % similar 1,8,8-Trimethyl-3-oxabicyclo[3.2.1]octane-2,4-dione76-32-433 % similar 2,2-Dimethylglutaric anhydride2938-48-931 % similar Trifluoroacetic anhydride407-25-031 % similar Trichloroacetic anhydride4124-31-631 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

3-(4-Hydroxymethylphenoxy)propionic acid101366-61-4 Dihydroferulic acid1135-23-5 2-(4-Methoxyphenoxy)propionic acid13794-15-5 2,5-Dimethoxyphenylacetic acid1758-25-4 2'-Hydroxy-4',5'-dimethoxyacetophenone20628-06-2 Methyl 2,6-dimethoxybenzoate2065-27-2 2,3,4-Trimethoxybenzaldehyde2103-57-3 Methyl 3,5-dimethoxybenzoate2150-37-0

Elsewhere

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