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Mitragynine

CAT: 1596-AR-M02112-04Size: 100 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-M02112-04Size:100 Units
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CAS Number
4098-40-2
Synonyms
(E) -methyl2- ((2S,3S,12bS) -3-ethyl-8-methoxy-1,2,3,4,6,7,12,12b-octahydroindolo[2,3-a]quinolizin-2-yl) -3-methoxyacrylate; (?E,2S,3S,12bS) -3-Ethyl-1,2,3,4,6,7,12,12b-octahydro-8-methoxy-?- (methoxymethylene) -indolo[2,3-a]quinolizine-2-acetic Acid Methyl Ester; (-) -Mitragynine; 9-Methoxy-corynantheidine; 16,17-Didehydro-9,17-dimethoxy-corynan-16-carboxylic Acid Methyl Ester; Mitragynine
Molecular Formula
C23H30N2O4
Molecular Weight
398.5
API Name
Mitragynine

Chemical Information

(-)-Mitragynine

Mitragynine is a monoterpenoid indole alkaloid.

CAS Number4098-40-2
PubChem CID3034396
IUPAC Namemethyl (E)-2-[(2S,3S,12bS)-3-ethyl-8-methoxy-1,2,3,4,6,7,12,12b-octahydroindolo[2,3-a]quinolizin-2-yl]-3-methoxyprop-2-enoate
Molecular FormulaC23H30N2O4
Molecular Weight398.5
XLogP3.4
Topological Polar Surface Area63.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count6
Heavy Atom Count29
Formal Charge0
Complexity624
SMILES
CC[C@@H]1CN2CCC3=C([C@@H]2C[C@@H]1/C(=C\OC)/C(=O)OC)NC4=C3C(=CC=C4)OC
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
InChIKey
LELBFTMXCIIKKX-QVRQZEMUSA-N
Chemical Structure
2D Structure
2D structure of (-)-Mitragynine
CAS: 4098-40-2
CID: 3034396
Formula: C23H30N2O4
MW: 398.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight398.5
XLogP33.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count6
Exact Mass398.22055744
Monoisotopic Mass398.22055744
Topological Polar Surface Area63.8 Ų
Heavy Atom Count29
Formal Charge0
Complexity624
Isotope Atom Count0
Defined Atom Stereocenter Count3
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
T61900-01Mitragynine
BM164595-01Mitragynine - 95%
FM66222Mitragynine hydrochloride
MBS122135-01Mitragynine (Kratom)
052442Kratom (Mitragynine)
T62136-01Mitragynine pseudoindoxyl
FM26024-01Mitragynine - 97%
456277-01Mitragynine-d3 discontinued
112013Anti Mitragynine Pab
sc-4911527-Hydroxy Mitragynine

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