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
ChemSpider
26333224
ChEBI
9729
Wikipedia
Trimetaphan_camsilate
Predicted Properties
PropertyValueSource
Water Solubility0.00197 mg/mLALOGPS
logP4.23ALOGPS
logP2.32Chemaxon
logS-5.5ALOGPS
pKa (Strongest Basic)-2Chemaxon
Physiological Charge1Chemaxon
Hydrogen Acceptor Count1Chemaxon
Hydrogen Donor Count0Chemaxon
Polar Surface Area23.55 Å2Chemaxon
Rotatable Bond Count6Chemaxon
Refractivity105.43 m3·mol-1Chemaxon
Polarizability39.94 Å3Chemaxon
Number of Rings7Chemaxon
Bioavailability1Chemaxon
Rule of FiveNoChemaxon
Ghose FilterNoChemaxon
Veber's RuleYesChemaxon
MDDR-like RuleYesChemaxon