Lobeline sulfate

C₂₂H₂₉NO₆SCAS 134-64-5435.54 g/mol

Open in Covalent MOL file

Alcohol Ketone Tertiary amine

Properties

Molecular formula: C₂₂H₂₉NO₆S
Molar mass: 435.54 g/mol
Exact mass: 435.1716 Da
logP: 3.58Crippen estimate
Polar surface area: 115.1 Å²
H-bond donors / acceptors: 3 / 5
Rotatable bonds: 6
Stereocentres: R, S, Sin SMILES atom order

Identifiers

CAS number

134-64-5

SMILES

CN1[C@@H](CC(=O)c2ccccc2)CCC[C@H]1C[C@H](O)c1ccccc1.O=S(=O)(O)O

InChIKey

BEDBXOIWRNCGAU-NFQNBQCWSA-N

InChI

InChI=1S/C22H27NO2.H2O4S/c1-23-19(15-21(24)17-9-4-2-5-10-17)13-8-14-20(23)16-22(25)18-11-6-3-7-12-18;1-5(2,3)4/h2-7,9-12,19-21,24H,8,13-16H2,1H3;(H2,1,2,3,4)/t19-,20+,21-;/m0./s1

Weigh it out

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

Names and synonyms

8 names

Ethanone, 2-[(2R,6S)-6-[(2S)-2-hydroxy-2-phenylethyl]-1-methyl-2-piperidinyl]-1-phenyl-, sulfate (2:1)
Lobeline, sulfate (2:1) (salt)
Ethanone, 2-[6-(2-hydroxy-2-phenylethyl)-1-methyl-2-piperidinyl]-1-phenyl-, [2R-[2α,6α(S*)]]-, sulfate (2:1) (salt)
Ethanone, 2-[(2R)-6-[(2S)-2-hydroxy-2-phenylethyl]-1-methyl-2-piperidinyl]-1-phenyl-, sulfate (2:1) (salt)
Bantron
Lobidan
Toban
Lobeton

Work with Lobeline sulfate

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

(-)-Lobeline hydrochloride134-63-481 % similar Atropine sulfate55-48-149 % similar Hyoscyamine sulfate620-61-149 % similar Atropine sulfate monohydrate5908-99-647 % similar Benzeneacetic acid, α-(hydroxymethyl)-, (αS)-, (3-endo)-8-methyl-8-azabicyclo[3.2.1]oct-3-yl ester, sulfate, hydrate (2:1:2)6835-16-147 % similar Benztropine mesylate132-17-241 % similar (±)-Homatropine87-00-340 % similar (-)-Atropine101-31-538 % similar

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

Elsewhere

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