| CAS Number | 1465-77-6 |
| Catalog Number | AG00B0HD(AGN-PC-0PYYI3) |
| Chemical Name | disodium cantharidin |
| IUPAC Name | disodium;(1R,2S,3R,4S)-2,3-dimethyl-7-oxabicyclo[2.2.1]heptane-2,3-dicarboxylate |
| InChI | InChI=1S/C10H14O5.2Na/c1-9(7(11)12)5-3-4-6(15-5)10(9,2)8(13)14;;/h5-6H,3-4H2,1-2H3,(H,11,12)(H,13,14);;/q;2*+1/p-2/t5-,6+,9+,10-;; |
| InChI Key | JFALSOLNDKMHAL-CSYCBQNYSA-L |
| MDL Number | MFCD01710784 |
| Molecular Formula | C10H12Na2O5 |
| Molecular Weight | 258.1788 |
| SMILES | [O-]C([C@@]1(C)[C@](C([O-])=O)(C)[C@@H]2CC[C@H]1O2)=O.[Na+].[Na+] |
| Synonyms | cantharidin disodium,
disodium cantharidate,
disodium cantharidin,
Cantharidin disodium,
Disodium cantharidin,
Disodium cantharidate,
1465-77-6,
7-Oxabicyclo(2.2.1)heptane-2,3-dicarboxylic acid, 2,3-dimethyl-, disodium salt, (exo,exo)-,
LS-98732,
disodiumcantharidin,
C10H12O5.2Na,
C10-H12-O5.2Na,
CID121474,
|
| Complexity | 296 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 3 |
| Defined Atom Stereocenter Count | 4 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 258.048g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 258.181g/mol |
| Monoisotopic Mass | 258.048g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 89.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number