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7-Hydroxy mitragynine

CAT: 0926-FH74974-03Size: 2 mgDry Ice: NoHazardous: No
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CAT#:0926-FH74974-03Size:2 mg
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CAS Number
174418-82-7
Synonyms
7-Hydroxymitragynine
MDL Number
MFCD09970594
Smiles
CC[C@@H]1CN2CC[C@]3 (C (=NC4=C3C (=CC=C4) OC) [C@@H]2C[C@@H]1/C (=C\OC) /C (=O) OC) O
Molecular Formula
C23H30N2O5
Molecular Weight
414.49 g/mol
Controlled
Yes

Chemical Information

7-Hydroxymitragynine

7-Hydroxymitragynine is an alkaloid.

CAS Number174418-82-7
PubChem CID44301524
IUPAC Namemethyl (E)-2-[(2S,3S,7aS,12bS)-3-ethyl-7a-hydroxy-8-methoxy-2,3,4,6,7,12b-hexahydro-1H-indolo[2,3-a]quinolizin-2-yl]-3-methoxyprop-2-enoate
Molecular FormulaC23H30N2O5
Molecular Weight414.5
XLogP2.3
Topological Polar Surface Area80.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count6
Heavy Atom Count30
Formal Charge0
Complexity722
SMILES
CC[C@@H]1CN2CC[C@]3(C(=NC4=C3C(=CC=C4)OC)[C@@H]2C[C@@H]1/C(=C\OC)/C(=O)OC)O
InChI
InChI=1S/C23H30N2O5/c1-5-14-12-25-10-9-23(27)20-17(7-6-8-19(20)29-3)24-21(23)18(25)11-15(14)16(13-28-2)22(26)30-4/h6-8,13-15,18,27H,5,9-12H2,1-4H3/b16-13+/t14-,15+,18+,23+/m1/s1
InChIKey
RYENLSMHLCNXJT-CYXFISRXSA-N
Chemical Structure
2D Structure
2D structure of 7-Hydroxymitragynine
CAS: 174418-82-7
CID: 44301524
Formula: C23H30N2O5
MW: 414.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight414.5
XLogP32.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count6
Exact Mass414.21547206
Monoisotopic Mass414.21547206
Topological Polar Surface Area80.6 Ų
Heavy Atom Count30
Formal Charge0
Complexity722
Isotope Atom Count0
Defined Atom Stereocenter Count4
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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