Samandarine

Base Information Edit

Chemical Name:Samandarine
CAS No.:467-51-6
Molecular Formula:C19H31 N O2
Molecular Weight:305.461
Hs Code.:
UNII:IJN7TXF3HK
DSSTox Substance ID:DTXSID80894040
Nikkaji Number:J5.909I
Wikipedia:Samandarin
Wikidata:Q425064
Metabolomics Workbench ID:55331
Mol file:467-51-6.mol

Synonyms:Samandarine;Samandarin;467-51-6;IJN7TXF3HK;UNII-IJN7TXF3HK;BRN 0014646;4-27-00-01819 (Beilstein Handbook Reference);1alpha,4alpha-epoxy-3-aza-4a-homo-5beta-androstan-16beta-ol;(2S,5R,5aS,5bS,7aR,9S,10aS,10bS,12aR)-5a,7a-dimethyloctadecahydro-2,5-epoxycyclopenta[5,6]naphtho[1,2-d]azepin-9-ol;SAMANDARINE [MI];SCHEMBL335725;CHEBI:36324;DTXSID80894040;3-Aza-A-homoandrostan-16-ol, 1,4-epoxy-, (1-alpha,4-alpha,5-beta,16-beta)-;AKOS040753911;C19950;Q425064;1-alpha,4-alpha-Epoxy-3-aza-A-homoandrostan-16beta-ol;1.ALPHA.,4.ALPHA.,5.BETA.,16.BETA.)-1,4-EPOXY-3-AZA-A-HOMOANDROSTAN-16-OL;(1R,2S,3S,6R,8S,10S,11S,14R,16S)-2,6-dimethyl-19-oxa-17-azapentacyclo[14.2.1.02,14.03,11.06,10]nonadecan-8-ol;2,5-EPOXYCYCLOPENTA(5,6)NAPHTH(1,2-D)AZEPIN-9-OL, OCTADECAHYDRO-5A,7A-DIMETHYL-, (2S,5R,5AS,5BS,7AR,9S,10AS,10BS,12AR)-;2,5-EPOXYCYCLOPENTA(5,6)NAPHTH(1,2-D)AZEPIN-9-OL, OCTADECAHYDRO-5A,7A-DIMETHYL-, (2S-(2.ALPHA.,5.ALPHA.,5A.BETA.,5B.ALPHA.,7A.BETA.,9.BETA.,10A.ALPHA.,10B.BETA.,12A.BETA.))-

Suppliers and Price of Samandarine

Supply Marketing:Edit

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

American Custom Chemicals Corporation
SAMANDARINE 95.00%
5MG
$ 505.86

Total 14 raw suppliers

Chemical Property of Samandarine Edit

Chemical Property:

Vapor Pressure:4.06E-09mmHg at 25°C
Melting Point:187-188°
Boiling Point:427.9°Cat760mmHg
PKA:15.26±0.60(Predicted)
Flash Point:212.6°C
PSA：41.49000
Density:1.111g/cm³
LogP:3.25310
XLogP3:3.7
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:0
Exact Mass:305.235479232
Heavy Atom Count:22
Complexity:482

Purity/Quality:

99%, ^*data from raw suppliers

SAMANDARINE 95.00% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC12CCC3C(C1CC(C2)O)CCC4C3(C5CNC(C4)O5)C
Isomeric SMILES:C[C@]12CC[C@H]3[C@H]([C@@H]1C[C@@H](C2)O)CC[C@H]4[C@@]3([C@@H]5CN[C@H](C4)O5)C
Description This pentacyclic alkaloid also occurs in the skin secretion of Salamandra species, particularly S. atra and S. maculosa. It forms colourless crystals from a variety of solvents but when crystallized from MeOH contains solvent of crystallization. The solutions are strongly alkaline and the base is dextrorotatory with [α]17D + 43.7°. Two bridge methyl groups, a non-phenolic hydroxyl group and a methylimino group are present in the molecule. Several crystalline derivatives have been prepared including the hydrochloride, m.p. 32l-2°C; the O,N-diacetyl derivative, m.p. l67-8°C; the monoformyl compound, m.p. l48-ISOoC; diformyl derivative, m.p. 2S6-g0C; N-nitroso compound, m.p. 164-5°C and the N-methyl derivative which is characterized as the hydrochloride, m.p. 300-2°C (dec.) and the methiodide, m.p. 27l-2°C.

Technology Process of Samandarine

There total 1 articles about Samandarine 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: