Trimethaphan camsylateProduct ingredient for Trimethaphan
- Name
- Trimethaphan camsylate
- Drug Entry
- Trimethaphan
A nicotinic antagonist that has been used as a ganglionic blocker in hypertension, as an adjunct to anesthesia, and to induce hypotension during surgery.
- Accession Number
- DBSALT001381
- Structure
- Synonyms
- Not Available
- UNII
- 8W556014K9
- CAS Number
- 68-91-7
- Weight
- Average: 596.8
Monoisotopic: 596.237864744 - Chemical Formula
- C32H40N2O5S2
- InChI Key
- HALWUDBBYKMYPW-STOWLHSFSA-M
- InChI
- InChI=1S/C22H25N2OS.C10H16O4S/c25-22-23(14-17-8-3-1-4-9-17)19-16-26-13-7-12-20(26)21(19)24(22)15-18-10-5-2-6-11-18;1-9(2)7-3-4-10(9,8(11)5-7)6-15(12,13)14/h1-6,8-11,19-21H,7,12-16H2;7H,3-6H2,1-2H3,(H,12,13,14)/q+1;/p-1/t;7-,10-/m.1/s1
- IUPAC Name
- 3,5-dibenzyl-4-oxo-8lambda4-thia-3,5-diazatricyclo[6.3.0.0^{2,6}]undecan-8-ylium [(1S,4R)-7,7-dimethyl-2-oxobicyclo[2.2.1]heptan-1-yl]methanesulfonate
- SMILES
- CC1(C)[C@@H]2CC[C@@]1(CS([O-])(=O)=O)C(=O)C2.O=C1N(CC2=CC=CC=C2)C2C[S+]3CCCC3C2N1CC1=CC=CC=C1
- External Links
- ChemSpider
- 26333224
- ChEBI
- 9729
- Wikipedia
- Trimetaphan_camsilate
- Predicted Properties
Property Value Source Water Solubility 0.00197 mg/mL ALOGPS logP 4.23 ALOGPS logP 2.32 Chemaxon logS -5.5 ALOGPS pKa (Strongest Basic) -2 Chemaxon Physiological Charge 1 Chemaxon Hydrogen Acceptor Count 1 Chemaxon Hydrogen Donor Count 0 Chemaxon Polar Surface Area 23.55 Å2 Chemaxon Rotatable Bond Count 6 Chemaxon Refractivity 105.43 m3·mol-1 Chemaxon Polarizability 39.94 Å3 Chemaxon Number of Rings 7 Chemaxon Bioavailability 1 Chemaxon Rule of Five No Chemaxon Ghose Filter No Chemaxon Veber's Rule Yes Chemaxon MDDR-like Rule Yes Chemaxon