Jatrorrhizine

C₂₀H₂₀NO₄⁺CAS 3621-38-3338.38 g/mol

Open in Covalent MOL file

Alkene Ether Ketone Tertiary amine

Properties

Molecular formula: C₂₀H₂₀NO₄⁺
Molar mass: 338.38 g/mol
Exact mass: 338.1392 Da
Melting point: above 200 °C (decomposes)
logP: -0.18Crippen estimate
Polar surface area: 49.2 Å²
H-bond donors / acceptors: 1 / 4
Rotatable bonds: 3

Hazards

Warning

H400 Very toxic to aquatic life95% of notifiers

Aggregated from 40 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P273, P391, P501

Identifiers

CAS number

3621-38-3

SMILES

COC1=CC2=C3C=c4ccc(OC)c(OC)c4=C[NH+]3CCC2=CC1=O

InChIKey

MXTLAHSTUOXGQF-UHFFFAOYSA-O

InChI

InChI=1S/C20H19NO4/c1-23-18-5-4-12-8-16-14-10-19(24-2)17(22)9-13(14)6-7-21(16)11-15(12)20(18)25-3/h4-5,8-11H,6-7H2,1-3H3/p+1

Weigh it out

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

Names and synonyms

9 names

Dibenzo[a,g]quinolizinium, 5,6-dihydro-3-hydroxy-2,9,10-trimethoxy-
Berbinium, 7,8,13,13a-tetradehydro-3-hydroxy-2,9,10-trimethoxy-
5,6-Dihydro-3-hydroxy-2,9,10-trimethoxydibenzo[a,g]quinolizinium
Yatrorizine
Jatrorhizine
Neprotin
7,8,13,13a-Tetradehydro-3-hydroxy-2,9,10-trimethoxyberbinium
Neprotine
Jateorhizine

Work with Jatrorrhizine

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.

Jatrorrhizine chloride6681-15-8Salt

Same formula

Columbamine3621-36-1

Elsewhere

PubChem CAS Common Chemistry NIST WebBook Wikipedia