Amidephrine mesylateProduct ingredient for Amidephrine

Name
Amidephrine mesylate
Drug Entry
Amidephrine
Accession Number
DBSALT003158
Structure
Synonyms
Amideferini mesilas / Amidefrine mesilate / Amidefrini mesilas / Amidephrine mesylate / Amidephrine monoethanesulfonate / Mesilate d'amidefrine
External IDs
MJ-5190
UNII
S3IG39T94B
CAS Number
1421-68-7
Weight
Average: 340.41
Monoisotopic: 340.07627872
Chemical Formula
C11H20N2O6S2
InChI Key
INSXAGGBFMXUIH-UHFFFAOYSA-N
InChI
InChI=1S/C10H16N2O3S.CH4O3S/c1-11-7-10(13)8-4-3-5-9(6-8)12-16(2,14)15;1-5(2,3)4/h3-6,10-13H,7H2,1-2H3;1H3,(H,2,3,4)
IUPAC Name
N-{3-[1-hydroxy-2-(methylamino)ethyl]phenyl}methanesulfonamide; methanesulfonic acid
SMILES
CS(O)(=O)=O.CNCC(O)C1=CC=CC(NS(C)(=O)=O)=C1
ChemSpider
14287
Wikipedia
Amidephrine
Predicted Properties
PropertyValueSource
logP-1.2Chemaxon
pKa (Strongest Acidic)9.91Chemaxon
pKa (Strongest Basic)9.25Chemaxon
Physiological Charge1Chemaxon
Hydrogen Acceptor Count4Chemaxon
Hydrogen Donor Count3Chemaxon
Polar Surface Area78.43 Å2Chemaxon
Rotatable Bond Count4Chemaxon
Refractivity61.95 m3·mol-1Chemaxon
Polarizability25.29 Å3Chemaxon
Number of Rings1Chemaxon
Bioavailability1Chemaxon
Rule of FiveYesChemaxon
Ghose FilterNoChemaxon
Veber's RuleNoChemaxon
MDDR-like RuleNoChemaxon