2beta,16beta-Bis(piperidin-1-yl)-5alpha-androstane-3alpha,17beta-diyl diacetate

Base Information Edit

Chemical Name:2beta,16beta-Bis(piperidin-1-yl)-5alpha-androstane-3alpha,17beta-diyl diacetate
CAS No.:13529-31-2
Molecular Formula:C33H54N2O4
Molecular Weight:542.803
Hs Code.:2933399090
European Community (EC) Number:691-755-0
UNII:N738KO204J
DSSTox Substance ID:DTXSID201133509
Wikidata:Q27284650
Mol file:13529-31-2.mol

Synonyms:13529-31-2;(2b,3a,16b,17b)-2,16-Bispiperidino-3,17-diacetoxy-5-androstane;2beta,16beta-Bis(piperidin-1-yl)-5alpha-androstane-3alpha,17beta-diyl diacetate;N738KO204J;[(2S,3S,5S,8R,9S,10S,13S,14S,16S,17R)-17-acetyloxy-10,13-dimethyl-2,16-di(piperidin-1-yl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate;Androstane-3,17-diol, 2,16-di-1-piperidinyl-, 3,17-diacetate, (2beta,3alpha,5alpha,16beta,17beta)-;Androstane-3,17-diol,2,16-di-1-piperidinyl-, 3,17-diacetate, (2b,3a,5a,16b,17b)-;UNII-N738KO204J;C33H54N2O4;N-Desmethyl Vecuronium;Pancuronium bromide specified impurity E [EP];SCHEMBL5795960;DTXSID201133509;2beta,16beta-Dipiperidino-5alpha-androstane-3alpha,17beta-diol diacetate;(2beta,3alpha,5alpha,16beta,17beta)-2,16-Bispiperidino-3,17-diacetoxy-5-androstane;D88040;PANCURONIUM BROMIDE IMPURITY E [EP IMPURITY];VECURONIUM BROMIDE IMPURITY A [EP IMPURITY];Q27284650;2b,3a,16b,17b)-2,16-Bispiperidino-3,17-diacetoxy-5-androstane;2.BETA.,16.BETA.-DIPIPERIDINO-5.ALPHA.-ANDROSTANE-3.ALPHA.,17.BETA.-DIOL DIACETATE;(1R,2S,3AS,3BR,5AS,7S,8S,9AS,9BS,11AS)-7-(ACETYLOXY)-9A,11A-DIMETHYL-2,8-BIS(PIPERIDIN-1-YL)-TETRADECAHYDRO-1H-CYCLOPENTA[A]PHENANTHREN-1-YL ACETATE;(2.BETA.,3.ALPHA.,5.ALPHA.,16.BETA.,17.BETA.)-2,16-BISPIPERIDINO-3,17-DIACETOXY-5-ANDROSTANE;2.BETA.,16.BETA.-BIS(PIPERIDIN-1-YL)-5.ALPHA.-ANDROSTANE-3.ALPHA.,17.BETA.-DIYL DIACETATE;ANDROSTANE-3,17-DIOL, 2,16-DI-1-PIPERIDINYL-, 3,17-DIACETATE, (2.BETA.,3.ALPHA.,5.ALPHA.,16.BETA.,17.BETA.)-

Suppliers and Price of 2beta,16beta-Bis(piperidin-1-yl)-5alpha-androstane-3alpha,17beta-diyl diacetate

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

TRC
N-DesmethylVecuronium
5mg
$ 185.00

TRC
N-DesmethylVecuronium
25mg
$ 725.00

Medical Isotopes, Inc.
N-DesmethylVecuronium
5 mg
$ 650.00

American Custom Chemicals Corporation
(2BETA,3A,16BETA,17BETA)-3,17-DIACETOXY-2,16-DIPIPERIDINO-5A-ANDROSTANE 95.00%
5G
$ 909.56

Total 40 raw suppliers

Chemical Property of 2beta,16beta-Bis(piperidin-1-yl)-5alpha-androstane-3alpha,17beta-diyl diacetate Edit

Chemical Property:

Vapor Pressure:5.06E-17mmHg at 25°C
Melting Point:176-180 °C
Refractive Index:1.569
Boiling Point:621.1°C at 760 mmHg
PKA:8.86±0.20(Predicted)
Flash Point:329.4°C
PSA：59.08000
Density:1.18g/cm³
LogP:5.69710
XLogP3:6.5
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:6
Exact Mass:542.40835821
Heavy Atom Count:39
Complexity:913

Purity/Quality:

98%min ^*data from raw suppliers

N-DesmethylVecuronium ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC(=O)OC1CC2CCC3C(C2(CC1N4CCCCC4)C)CCC5(C3CC(C5OC(=O)C)N6CCCCC6)C
Isomeric SMILES:CC(=O)O[C@H]1C[C@@H]2CC[C@@H]3[C@@H]([C@]2(C[C@@H]1N4CCCCC4)C)CC[C@]5([C@H]3C[C@@H]([C@@H]5OC(=O)C)N6CCCCC6)C
Uses N-Desmethyl Vecuronium is an impurity in the synthesis of Vecuronium Bromide (V102500), an aminosteroid, competitive neuromuscular blocker agent.

Technology Process of 2beta,16beta-Bis(piperidin-1-yl)-5alpha-androstane-3alpha,17beta-diyl diacetate

There total 7 articles about 2beta,16beta-Bis(piperidin-1-yl)-5alpha-androstane-3alpha,17beta-diyl diacetate 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: 97.0%