Mitraciliatine

Base Information Edit

Chemical Name:Mitraciliatine
CAS No.:14509-92-3
Molecular Formula:C₂₃H₃₀N₂O₄
Molecular Weight:398.502
Hs Code.:
UNII:IE9LY4S85X
ChEMBL ID:CHEMBL107364
Wikidata:Q110185426
Mol file:14509-92-3.mol

Synonyms:Mitraciliatine;IE9LY4S85X;Mitraciliatine [NFLIS-DRUG];UNII-IE9LY4S85X;14509-92-3;Methyl(3R,15S,16Z,20R)-9-methoxy-16-(methoxymethylene)corynan-17-oate;Indolo(2,3-a)quinolizine-2-acetic acid, 3-ethyl-1,2,3,4,6,7,12,12b-octahydro-8-methoxy-alpha-(methoxymethylene)-, methyl ester, (alphaE,2S,3R,12bR)-;CHEMBL107364;SCHEMBL15976579;INDOLO(2,3-A)QUINOLIZINE-2-ACETIC ACID, 3-ETHYL-1,2,3,4,6,7,12,12B-OCTAHYDRO-8-METHOXY-.ALPHA.-(METHOXYMETHYLENE)-, METHYL ESTER, (.ALPHA.E,2S,3R,12BR)-

Suppliers and Price of Mitraciliatine

Supply Marketing:Edit

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

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Total 0 raw suppliers

Chemical Property of Mitraciliatine Edit

Chemical Property:

Melting Point:140-141 °C
Boiling Point:560.3±50.0 °C(Predicted)
PKA:18.35±0.60(Predicted)
PSA：63.79000
Density:1.22±0.1 g/cm3(Predicted)
LogP:3.76300
XLogP3:3.4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:6
Exact Mass:398.22055744
Heavy Atom Count:29
Complexity:624

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CCC1CN2CCC3=C(C2CC1C(=COC)C(=O)OC)NC4=C3C(=CC=C4)OC
Isomeric SMILES:CC[C@H]1CN2CCC3=C([C@H]2C[C@@H]1/C(=C\OC)/C(=O)OC)NC4=C3C(=CC=C4)OC
Description Mitragyna ciliata Aubr. et Pellegr. yields this carboline alkaloid which may be purified by crystallization from Et20-light petroleum when it forms small, colourless crystals. The ultraviolet spectrum exhibits absorption maxima at 228 and 292.4 mil with shoulders at 248.8 and 284 mil. The base may be charac_x0002_terized as the perchlorate which forms light yellow prisms from EtOH-Et20, m.p.229-230°C.

Technology Process of Mitraciliatine

There total 46 articles about Mitraciliatine which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 100.0%

: C₂₅H₃₄N₂O₆

: 4098-40-2,4697-67-0,14382-79-7,14509-92-3,6202-22-8
mitragynine

Guidance literature:: With sodium tris(acetoxy)borohydride; acetic acid; In methanol; at 20 - 90 ℃; Inert atmosphere; Reflux;

Reference yield: 99.0%

: 1415662-51-9,1346-36-7
(-)-dehydromitragynine

: 4098-40-2,4697-67-0,14382-79-7,14509-92-3,6202-22-8
mitragynine

Guidance literature:: With palladium 10% on activated carbon; hydrogen; In ethyl acetate; for 18h;
DOI:10.1039/c2cc37023a

Reference yield: 80.0%

: 918430-83-8
C₂₅H₃₄N₂O₆

: 4098-40-2,4697-67-0,14382-79-7,14509-92-3,6202-22-8
mitragynine

Guidance literature:: C₂₅H₃₄N₂O₆; With sodium cyanoborohydride; acetic acid; at 20 ℃; Inert atmosphere;

In methanol; at 90 ℃; Inert atmosphere;