(-)-Mitragynine

C23H30N2O4CAS 4098-40-2398.50 g/mol

Open in Covalent MOL file
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AlkeneEsterEtherTertiary amine

Properties

Molecular formula
C23H30N2O4
Molar mass
398.50 g/mol
Exact mass
398.2206 Da
Melting point
104 °C
Boiling point
235 °C
logP
3.83Crippen estimate
Polar surface area
63.8 Ų
H-bond donors / acceptors
1 / 5
Rotatable bonds
5
Stereocentres
S, S, Sin SMILES atom order

Hazards

Warning
Irritant (GHS07)

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

Precautionary statements

P261, P264+P265, P272, P280, P302+P352, P305+P351+P338, P321, P333+P317, P337+P317, P362+P364, P501

Identifiers

CAS number
4098-40-2
SMILES
CC[C@@H]1CN2CCc3c([nH]c4cccc(OC)c34)[C@@H]2C[C@@H]1/C(=COC)C(=O)OC
InChIKey
LELBFTMXCIIKKX-QVRQZEMUSA-N
InChI
InChI=1S/C23H30N2O4/c1-5-14-12-25-10-9-15-21-18(7-6-8-20(21)28-3)24-22(15)19(25)11-16(14)17(13-27-2)23(26)29-4/h6-8,13-14,16,19,24H,5,9-12H2,1-4H3/b17-13+/t14-,16+,19+/m1/s1

Weigh it out

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

Names and synonyms

7 names
  • Indolo[2,3-a]quinolizine-2-acetic acid, 3-ethyl-1,2,3,4,6,7,12,12b-octahydro-8-methoxy-α-(methoxymethylene)-, methyl ester, (αE,2S,3S,12bS)-
  • Mitragynine
  • Corynan-16-carboxylic acid, 16,17-didehydro-9,17-dimethoxy-, methyl ester, (16E,20β)-
  • Corynantheidine, 9-methoxy-
  • 9-Methoxycorynantheidine
  • Mitragynin
  • Indolo[2,3-a]quinolizine-2-acetic acid, 3-ethyl-1,2,3,4,6,7,12,12b-octahydro-8-methoxy-α-(methoxymethylene)-, methyl ester, [2S-[2α(E),3α,12bβ]]-

Work with (-)-Mitragynine

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 Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Hirsuteine35467-43-758 % similar Ajmalicine483-04-552 % similar Tetrahydroalstonine6474-90-452 % similar Geissoschizine methyl ether60314-89-849 % similar 7-Isorhyncophylline6859-01-444 % similar Corynoxine6877-32-344 % similar Rhynchophylline76-66-444 % similar Yohimbine146-48-540 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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