Borocaptate sodiumProduct ingredient for Borocaptate
- Name
- Borocaptate sodium
- Drug Entry
- Borocaptate
- Accession Number
- DBSALT003331
- Structure
Structure for Borocaptate sodium (DBSALT003331)
- Synonyms
- Borocaptate sodium B 10 / BSH / Sodium borocaptate / Sodium borocaptate (10B) / Sodium mercaptoundecahydrododecaborate
- UNII
- Q99U4EH59F
- CAS Number
- 12448-24-7
- Weight
- Average: 199.2
Monoisotopic: 199.113582 - Chemical Formula
- B12HNa2S
- InChI Key
- XBQFDQBIJSZPQI-YCWCXYHTSA-N
- InChI
- InChI=1S/B12HS.2Na/c13-12-7-2-1-3(2,7)5(1)6(1)4(1,2)8(2,7,12)10(4,6,12)11(5,6,12)9(3,5,7)12;;/h13H;;/q;2*+1/i1-1,2-1,3-1,4-1,5-1,6-1,7-1,8-1,9-1,10-1,11-1,12-1;;
- IUPAC Name
- disodium (1,2,3,4,5,6,7,8,9,10,11,12-10B12)-1lambda5,2lambda5,3lambda5,4lambda5,5lambda5,6lambda5,7lambda5,8lambda5,9lambda5,10lambda5,11lambda5,12lambda6-nonadecacyclo[5.4.1.0^{1,3}.0^{1,4}.0^{2,6}.0^{2,7}.0^{2,12}.0^{3,5}.0^{3,6}.0^{4,9}.0^{4,11}.0^{5,8}.0^{5,9}.0^{6,8}.0^{7,10}.0^{8,10}.0^{9,11}.0^{10,12}.0^{11,12}]dodecaborane-12-thiol
- SMILES
- [Na+].[Na+].S[10B]1234[10B]567[10B]89%10[10B]%11%12%13[10B]585[10B]%118%11[10B]%12%12%14[10B]9%139[10B]16%10[10B]2%129[10B]38%14[10B]475%11
- External Links
- Not Available
- Predicted Properties
Property Value Source Hydrogen Acceptor Count 0 Chemaxon Hydrogen Donor Count 0 Chemaxon Polar Surface Area 0 Å2 Chemaxon Rotatable Bond Count 0 Chemaxon Refractivity 6.56 m3·mol-1 Chemaxon Polarizability 17.09 Å3 Chemaxon Number of Rings 19 Chemaxon Bioavailability 1 Chemaxon Rule of Five No Chemaxon Ghose Filter No Chemaxon Veber's Rule Yes Chemaxon MDDR-like Rule No Chemaxon