Speciociliatine

Base Information

Chemical Name:Speciociliatine
CAS No.:14382-79-7
Molecular Formula:C₂₃H₃₀N₂O₄
Molecular Weight:398.502
Hs Code.:
UNII:M3NN8Z8ZJW
ChEMBL ID:CHEMBL4546925
DSSTox Substance ID:DTXSID50574160
Nikkaji Number:J13.956D
Pharos Ligand ID:UU5YCKV44F3X
Wikidata:Q82463107
Wikipedia:Speciociliatine
Mol file:14382-79-7.mol

Synonyms:Speciociliatine;14382-79-7;Speciociliatin;M3NN8Z8ZJW;UNII-M3NN8Z8ZJW;CHEMBL4546925;methyl (E)-2-[(2S,3S,12bR)-3-ethyl-8-methoxy-1,2,3,4,6,7,12,12b-octahydroindolo[2,3-a]quinolizin-2-yl]-3-methoxyprop-2-enoate;(3beta,16E,20beta)-16,17-Didehydro-9,17-dimethoxycorynan-16-carboxylic acid methyl ester;17,18-Seco-3beta,20alpha-yohimban-16-carboxylic acid, 16,17-didehydro-9,17-dimethoxy-, methyl ester, (E)-;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,3S,12bR)-;Speciociliatine(sh);17,18-Seco-3.beta.,20.alpha.-yohimban-16-carboxylic acid, 16,17-didehydro-9,17-dimethoxy-, methyl ester, (E)-;SCHEMBL15979409;DTXSID50574160;BDBM50519927;NS00067990;Methyl (3beta,16E,20beta)-9-methoxy-16-(methoxymethylidene)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, (.ALPHA.E,2S,3S,12BR)-

Suppliers and Price of Speciociliatine

Supply Marketing:

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

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

TRC
Speciociliatine
1mg
$ 245.00

Medical Isotopes, Inc.
Speciociliatine
10 mg
$ 2600.00

Medical Isotopes, Inc.
Speciociliatine
1 mg
$ 700.00

Cayman Chemical
Speciociliatine
5mg
$ 792.00

Cayman Chemical
Speciociliatine
1mg
$ 188.00

Cayman Chemical
Speciociliatine
500μg
$ 99.00

AK Scientific
Speciociliatine
5mg
$ 1169.00

Total 8 raw suppliers

Chemical Property of Speciociliatine

Chemical Property:

Melting Point:97-8°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
Storage Temp.:-20°C Freezer
Solubility.:Chloroform (Slightly), Ethanol (Slightly), Methanol (Slightly)
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:

98% ^*data from raw suppliers

Speciociliatine ^*data from reagent suppliers

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 One of the Mitragyna alkaloids, this base has been obtained from M. speciosa Korth. It is an amorphous powder which has [α]24D - 21 ° (c 0.24, CHC13). The crystalline methiodide forms light yellow microcrystals from hot EtOH with m.p. 264°C. Speciociliatine (Item No. 27246) is an analytical reference standard that is structurally similar to known opioids. Speciociliatine is an alkaloid found in M. speciosa (Kratom in Thai). This product is intended for research and forensic applications.
Uses Speciociliatine is an epimer of Mitragynine (M373550). Speciociliatine is an indole alkaloid from Mitragyna speciosa used in natural medicine. Speciociliatine is a neurochemical with opioid agonistic activity.

Technology Process of Speciociliatine

There total 47 articles about Speciociliatine 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;