chempirical

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. Search the SDS library

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

Weigh it out

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

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

PubChem CAS Common Chemistry NIST WebBook