chempirical

Tropisetron

C17H20N2O2CAS 89565-68-4284.36 g/mol

Open in Covalent MOL file
NOONH
EsterTertiary amine

Properties

Molecular formula
C17H20N2O2
Molar mass
284.36 g/mol
Exact mass
284.1525 Da
Melting point
201–202 °C
logP
2.95Crippen 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
89565-68-4
SMILES
CN1[C@@H]2CC[C@H]1C[C@@H](OC(=O)c1c[nH]c3ccccc13)C2
InChIKey
ZNRGQMMCGHDTEI-ITGUQSILNA-N
InChI
InChI=1/C17H20N2O2/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/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
  • 1H-Indole-3-carboxylic acid, 8-methyl-8-azabicyclo[3.2.1]oct-3-yl ester, endo-
  • ICS 205930
  • Navoban
  • ICS 205-930

Work with Tropisetron

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

Tropisetron hydrochloride105826-92-493 % similar Dolasetron115956-12-265 % similar Dolasetron mesylate115956-13-356 % similar Ethyl indole-3-carboxylate776-41-052 % similar (±)-Homatropine87-00-347 % similar (-)-Atropine101-31-545 % similar (±)-Atropine51-55-845 % similar Homatropine hydrobromide51-56-945 % similar

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

Same formula

Tropicamide1508-75-4

Elsewhere

PubChem CAS Common Chemistry NIST WebBook