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  2. 56-25-7
Introduction
     Cantharidin, also known as hexahydro-3a, 7a dimethyl-4,7-epoxy isobenzofuran-1,3-dione, can relieve itching, improve local neurotrophic effects, stimulate hair roots and promote hair growth
Names and Identifiers
  • cantharidin
  • Dimethyl-3,6-epoxyperhydrophthalic anhydride
  • (1R,2S,3R,6S)-1,2-Dimethyl-3,6-epoxycyclohexane-1,2-dicarboxylic anhydride
  • 4,7-Epoxyisobenzofuran-1,3-dione,hexahydro-3a,7a-dimethyl-, (3aR,4S,7R,7aS)-rel-
  • 2,3-dimethyl anhydride
  • 2,3-dimethyl-7-oxabicyclo[2.2.1]heptane-2,3-dicarboxylic acid anhydride
  • 2,3-dimethyl-7-oxa-bicyclo[2.2.1]heptane-2exo,3exo-dicarboxylic acid anhydride
  • 2endo,3endo-dimethyl-7-oxa-norbornane-2exo,3exo-dicarboxylic acid-anhydride
  • 3a,7a-dimethyl-(3at,7at)-hexahydro-4r,7c-epioxido-isobenzofuran-1,3-dione
  • Antharidin
  • Camptothecine
  • Canthari
  • cantharides
  • Cantharone
  • Kantaridin
  • Kantharidin
  • Hexahydro-3a,7a-dimethyl-4,7-epoxyisobenzofuran-1,3-dione
  • exo-1,2-cis-Dimethyl-3,6-epoxyhexahydrophthalic Anhydride
  • CANTHARIDINE
  • Cantharides camphor
  • Kantharidin [German]
  • Caswell No. 157
  • 1,2-Dimethyl-3,6-epoxyperhydrophthalic anhydride
  • NSC61805
  • (3ar,4s,7r,7as)-3a,7a-dimethylhexahydro-4,7-epoxy-2-benzofuran-1,3-dione
  • EPA Pesticide Chemical Code 013101
  • IGL471WQ8
  • Cantharidin
  • MDL:MFCD00134968
  • InChIKey:DHZBEENLJMYSHQ-XCVPVQRUSA-N
  • Inchi:1S/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-
  • SMILES:O1[C@]2([H])C([H])([H])C([H])([H])[C@@]1([H])[C@]1(C([H])([H])[H])C(=O)OC([C@@]12C([H])([H])[H])=O
  • BRN:0085302
Chemical and Physical Properties

Computed Properties

  • Exact Mass: 196.07400
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 4
  • Rotatable Bond Count: 0
  • Monoisotopic Mass: 196.074
  • Heavy Atom Count: 14
  • Complexity: 318
  • Isotope Atom Count: 0
  • Defined Atom Stereocenter Count: 4
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Covalently-Bonded Unit Count: 1
  • XLogP3: 0.6
  • Surface Charge: 0
  • Topological Polar Surface Area: 52.6

Experimental Properties

  • LogP: 0.64360
  • PSA: 52.60000
  • Merck: 1752
  • Refractive Index: 1.4699 (estimate)
  • Boiling Point: 253.08°C (rough estimate)
  • Melting Point: 215.0 to 219.0 deg-C
  • Flash Point: 326.9°Cat760mmHg
  • Solubility: Soluble in DMSO (25 mg/ml warm), acetone (8 mg/ml), ethanol (8 mg/ml warm), chloroform (1:65), ether (1:560), and ethyl acetate (1:150).
  • Color/Form: 0.1 mg/mL in DMSO
  • Color/Form: Colorless flake crystals
  • Solubility: Insoluble in cold water, soluble in hot water \ acetone \ chloroform \ ethyl acetate and oils, slightly soluble in ethanol
  • Sensitiveness: Sensitive to light
  • Density: 1.0357 (rough estimate)
Security Information
  • Symbol: GHS06
  • RTECS:RN8575000
  • WGK Germany:3
  • Safety Instruction:S53-S45
  • Packing Group:I
  • Risk Phrases:R28; R36/37/38
  • Hazard Level:6.1(a)
  • Tehlikeli mal işareti: T+ T+
  • Hazardous Material transportation number:UN 2811 6.1/PG 1
  • Hazard Statement:H300,H315,H319,H335
  • Warning Statement:P261,P264,P301+P310,P305+P351+P338
  • Prompt:dangerous
  • Storage Condition:Powder -20°C 3 years   4°C 2 years In solvent -80°C 6 months   -20°C 1 month
  • Hazard Category Code:28-36/37/38
  • Signal Word:Danger
  • TSCA:Yes
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