chempirical

Tropisetron hydrochloride

C17H21ClN2O2CAS 105826-92-4320.82 g/mol

Open in Covalent MOL file
NOONHHCl
EsterTertiary amine

Properties

Molecular formula
C17H21ClN2O2
Molar mass
320.82 g/mol
Exact mass
320.1292 Da
Melting point
283–285 °C
logP
3.37Crippen estimate
Polar surface area
45.3 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
2
Stereocentres
R, S, rin SMILES atom order

Identifiers

CAS number
105826-92-4
SMILES
CN1[C@@H]2CC[C@H]1C[C@@H](OC(=O)c1c[nH]c3ccccc13)C2.Cl
InChIKey
XIEGSJAEZIGKSA-LUNMCBQDNA-N
InChI
InChI=1/C17H20N2O2.ClH/c1-19-11-6-7-12(19)9-13(8-11)21-17(20)15-10-18-16-5-3-2-4-14(15)16;/h2-5,10-13,18H,6-9H2,1H3;1H/t11-,12+,13+;

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

5 names
  • 1H-Indole-3-carboxylic acid, (3-endo)-8-methyl-8-azabicyclo[3.2.1]oct-3-yl ester, hydrochloride (1:1)
  • 1H-Indole-3-carboxylic acid, 8-methyl-8-azabicyclo[3.2.1]oct-3-yl ester, monohydrochloride, endo-
  • 1H-Indole-3-carboxylic acid, (3-endo)-8-methyl-8-azabicyclo[3.2.1]oct-3-yl ester, monohydrochloride
  • SDZ-ICS 930
  • Novaban

Work with Tropisetron hydrochloride

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Tropisetron89565-68-493 % similar Dolasetron115956-12-261 % similar Dolasetron mesylate115956-13-354 % similar Ethyl indole-3-carboxylate776-41-049 % similar Hyoscyamine hydrochloride5934-50-948 % similar (±)-Homatropine87-00-345 % similar (-)-Atropine101-31-543 % similar (±)-Atropine51-55-843 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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