Scopine
Properties
- Molecular formula
- C8H13NO2
- Molar mass
- 155.20 g/mol
- Exact mass
- 155.0946 Da
- Melting point
- 75–76 °C
- logP
- -0.41Crippen estimate
- Polar surface area
- 36.0 Ų
- H-bond donors / acceptors
- 1 / 3
- Rotatable bonds
- 0
- Stereocentres
- R, s, S, 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
498-45-3SMILES
CN1[C@@H]2C[C@@H](O)C[C@H]1[C@@H]1O[C@@H]12InChIKey
FIMXSEMBHGTNKT-RZVDLVGDNA-NInChI
InChI=1/C8H13NO2/c1-9-5-2-4(10)3-6(9)8-7(5)11-8/h4-8,10H,2-3H2,1H3/t4-,5-,6+,7-,8+Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
6 names
- 3-Oxa-9-azatricyclo[3.3.1.02,4]nonan-7-ol, 9-methyl-, (1α,2β,4β,5α,7β)-
- 1αH,5αH-Tropan-3α-ol, 6β,7β-epoxy-
- (1α,2β,4β,5α,7β)-9-Methyl-3-oxa-9-azatricyclo[3.3.1.02,4]nonan-7-ol
- Scopanol
- 6,7-Epoxytropine
- Scopin
Work with Scopine
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
Tropine120-29-646 % similar
Pseudotropine135-97-746 % similar
(-)-Scopolamine138-12-535 % similar
(-)-Scopolamine51-34-335 % similar
1,3,5-Cyclohexanetriol2041-15-835 % similar
(1α,2β,4β,5α,7β)-9-Methyl-3-oxa-9-azatricyclo[3.3.1.02,4]non-7-yl α-hydroxy-α-2-thienyl-2-thiopheneacetate136310-64-034 % similar
2,6-Dimethyl-4-heptanol108-82-733 % similar
Scopolamine hydrobromide114-49-833 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.