chempirical

Bicuculline

C20H17NO6CAS 485-49-4367.36 g/mol

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AcetalEsterEtherLactoneTertiary amine

Properties

Molecular formula
C20H17NO6
Molar mass
367.36 g/mol
Exact mass
367.1056 Da
Melting point
194 °C
logP
2.58Crippen estimate
Polar surface area
66.5 Ų
H-bond donors / acceptors
0 / 7
Rotatable bonds
1
Stereocentres
S, Rin SMILES atom order

Identifiers

CAS number
485-49-4
SMILES
CN1CCc2cc3c(cc2[C@H]1[C@@H]1OC(=O)c2c1ccc1c2OCO1)OCO3
InChIKey
IYGYMKDQCDOMRE-ZWKOTPCHSA-N
InChI
InChI=1S/C20H17NO6/c1-21-5-4-10-6-14-15(25-8-24-14)7-12(10)17(21)18-11-2-3-13-19(26-9-23-13)16(11)20(22)27-18/h2-3,6-7,17-18H,4-5,8-9H2,1H3/t17-,18+/m0/s1

Weigh it out

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

Names and synonyms

9 names
  • Furo[3,4-e]-1,3-benzodioxol-8(6H)-one, 6-[(5S)-5,6,7,8-tetrahydro-6-methyl-1,3-dioxolo[4,5-g]isoquinolin-5-yl]-, (6R)-
  • Furo[3,4-e]-1,3-benzodioxol-8(6H)-one, 6-(5,6,7,8-tetrahydro-6-methyl-1,3-dioxolo[4,5-g]isoquinolin-5-yl)-, [R-(R*,S*)]-
  • 1,3-Dioxolo[4,5-g]isoquinoline, furo[3,4-e]-1,3-benzodioxol-8(6H)-one deriv.
  • (6R)-6-[(5S)-5,6,7,8-Tetrahydro-6-methyl-1,3-dioxolo[4,5-g]isoquinolin-5-yl]furo[3,4-e]-1,3-benzodioxol-8(6H)-one
  • Bicucullin
  • d-Bicuculline
  • (+)-Bicuculline
  • Bucuculline
  • NSC 32192

Work with Bicuculline

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

(-)-Hydrastine118-08-184 % similar Noscapine128-62-171 % similar Noscapine hydrochloride912-60-768 % similar Chelidonine476-32-443 % similar (+)-Cepharanthine481-49-241 % similar Acetylcorynoline18797-80-340 % similar Dicentrine517-66-840 % similar Canadine522-97-439 % similar

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

Elsewhere

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