Erythraline

C18H19NO3CAS 466-77-3297.35 g/mol

Open in Covalent MOL file
ONOO
AcetalAlkeneEtherTertiary amine

Properties

Molecular formula
C18H19NO3
Molar mass
297.35 g/mol
Exact mass
297.1365 Da
Melting point
106–107 °C
logP
2.38Crippen estimate
Polar surface area
30.9 Ų
H-bond donors / acceptors
0 / 4
Rotatable bonds
1
Stereocentres
R, Sin 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
466-77-3
SMILES
CO[C@H]1C=CC2=CCN3CCc4cc5c(cc4[C@]23C1)OCO5
InChIKey
TVOFUERNMZTYRM-KSSFIOAISA-N
InChI
InChI=1S/C18H19NO3/c1-20-14-3-2-13-5-7-19-6-4-12-8-16-17(22-11-21-16)9-15(12)18(13,19)10-14/h2-3,5,8-9,14H,4,6-7,10-11H2,1H3/t14-,18-/m0/s1

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Names and synonyms

5 names
  • Erythrinan, 1,2,6,7-tetradehydro-3-methoxy-15,16-[methylenebis(oxy)]-, (3β)-
  • 1H-[1,3]Dioxolo[4,5-g]indolo[7a,1-a]isoquinoline, erythrinan deriv.
  • (3β)-1,2,6,7-Tetradehydro-3-methoxy-15,16-[methylenebis(oxy)]erythrinan
  • (+)-Erythraline
  • Erythralin

Work with Erythraline

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

Cephalotaxine24316-19-633 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

N-(9-Fluorenylmethoxycarbonyl)-3-aminopropan-1-ol157887-82-6 Fmoc-L-alaninol161529-13-1 (±)-Aegeline456-12-2

Elsewhere

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