Tropisetron hydrochloride
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
Hazards
No GHS classification is on file for this compound. That is not evidence that it is harmless.
Identifiers
CAS number
105826-92-4SMILES
CN1[C@@H]2CC[C@H]1C[C@@H](OC(=O)c1c[nH]c3ccccc13)C2.ClInChIKey
XIEGSJAEZIGKSA-LUNMCBQDNA-NInChI
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
Stereoisomers, salts and isotopologues
The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.
Similar compounds
Dolasetron115956-12-261 % similar
Dolasetron mesylate115956-13-354 % similar
Ethyl indole-3-carboxylate776-41-049 % similar
Methyl indole-3-carboxylate942-24-549 % 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.