Scopine hydrochloride

C8H14ClNO2CAS 85700-55-6191.66 g/mol

Open in Covalent MOL file
NHOOHCl
AlcoholEpoxideEtherTertiary amine

Properties

Molecular formula
C8H14ClNO2
Molar mass
191.66 g/mol
Exact mass
191.0713 Da
logP
0.01Crippen 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.

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Identifiers

CAS number
85700-55-6
SMILES
CN1[C@@H]2C[C@@H](O)C[C@H]1[C@@H]1O[C@@H]12.Cl
InChIKey
BBBRAOXIMQHVCR-YSJWXMLMNA-N
InChI
InChI=1/C8H13NO2.ClH/c1-9-5-2-4(10)3-6(9)8-7(5)11-8;/h4-8,10H,2-3H2,1H3;1H/t4-,5-,6+,7-,8+;

Weigh it out

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

Names and synonyms

2 names
  • 3-Oxa-9-azatricyclo[3.3.1.02,4]nonan-7-ol, 9-methyl-, hydrochloride (1:1), (1α,2β,4β,5α,7β)-
  • 3-Oxa-9-azatricyclo[3.3.1.02,4]nonan-7-ol, 9-methyl-, hydrochloride, (1α,2β,4β,5α,7β)-

Work with Scopine 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

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.

Scopine498-45-3Free base

Similar compounds

Tropine120-29-642 % similar Pseudotropine135-97-742 % similar Scopolamine hydrochloride55-16-339 % similar 3-Aminocyclobutanol hydrochloride1036260-25-937 % similar (-)-Scopolamine138-12-533 % similar Nortropine hydrochloride14383-51-833 % similar (-)-Scopolamine51-34-333 % similar endo-3-Amine-9-methyl-9-azabicyclo[3,3,1]nonane dihydrochloride135906-03-532 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

((2-(Hydroxymethyl)-5-furyl)methyl)ammonium chloride81074-81-9

Elsewhere

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