Cantharidinimide

AlkaPlorer ID: AK291548

Synonym: Cantharimide, Cantharimide A, Hexahydro-3a,7a-dimethyl-4,7-epoxy-2H-isoindole-1,3-dione 

IUPAC Name: 3a,7a-dimethyl-4,5,6,7-tetrahydro-4,7-epoxyisoindole-1,3-dione

Structure

SMILES: CC12C(=O)NC(=O)C1(C)C1CCC2O1

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InChI: InChI=1S/C10H13NO3/c1-9-5-3-4-6(14-5)10(9,2)8(13)11-7(9)12/h5-6H,3-4H2,1-2H3,(H,11,12,13)

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InChIKey: PHOUKBDDOYWEMY-UHFFFAOYSA-N

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Reference

PubChem CID: 127533

CAS: 76970-77-9

COCONUT: CNP0300113.2

Properties Information

Molecule Weight: 195.218

TPSA: 55.400000000000006

MolLogP: 0.2165999999999999

Number of H-Donors: 1

Number of H-Acceptors: 3

RingCount: 3

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information