(2S,3S,5S,8R,9S,10S,13S,14S,16S)-3-hydroxy-10,13-dimethyl-2,16-di(piperidin-1-yl)-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-17-one

Base Information

Chemical Name:(2S,3S,5S,8R,9S,10S,13S,14S,16S)-3-hydroxy-10,13-dimethyl-2,16-di(piperidin-1-yl)-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-17-one
CAS No.:13522-14-0
Molecular Formula:C29H48N2O2
Molecular Weight:456.712
Hs Code.:
European Community (EC) Number:236-865-8
DSSTox Substance ID:DTXSID70928909
Nikkaji Number:J241.164D
Wikidata:Q72483946
Mol file:13522-14-0.mol

(2S,3S,5S,8R,9S,10S,13S,14S,16S)-3-hydroxy-10,13-dimethyl-2,16-di(piperidin-1-yl)-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-17-one

Synonyms:13522-14-0;EINECS 236-865-8;(2S,3S,5S,8R,9S,10S,13S,14S,16S)-3-hydroxy-10,13-dimethyl-2,16-di(piperidin-1-yl)-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-17-one;androstan-17-one, 3-hydroxy-2,16-di-1-piperidinyl-,(2,3,5,16)-(9ci);SCHEMBL9093395;DTXSID70928909;3-Hydroxy-2,16-di(piperidin-1-yl)androstan-17-one;2beta,16beta-Dipiperidino-5alpha-androstan-3alpha-ol-17-one;3alpha-Hydroxy-2beta,16beta-di(1-piperidinyl)-5alpha-androstan-17-one;(2beta,3alpha,5alpha,16beta)-3-hydroxy-2,16-di-(1-piperidinyl)-androstan-17-one;(2S,3S,5S,8R,9S,10S,13S,14S,16S)-3-Hydroxy-10,13-dimethyl-2,16-di-piperidin-1-yl-hexadecahydro-cyclopenta[a]phenanthren-17-one

Suppliers and Price of (2S,3S,5S,8R,9S,10S,13S,14S,16S)-3-hydroxy-10,13-dimethyl-2,16-di(piperidin-1-yl)-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-17-one

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

American Custom Chemicals Corporation
3-BETA-HYDROXY-2-BETA,16-BETA-DIPIPERIDINO-5-ALPHA-ANDROSTAN-17-ONE 95.00%
5MG
$ 500.40

Total 33 raw suppliers

Chemical Property of (2S,3S,5S,8R,9S,10S,13S,14S,16S)-3-hydroxy-10,13-dimethyl-2,16-di(piperidin-1-yl)-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-17-one

Chemical Property:

Vapor Pressure:2.43E-15mmHg at 25°C
Melting Point:179-185 °C
Refractive Index:1.561
Boiling Point:569.5 °C at 760 mmHg
PKA:14.98±0.70(Predicted)
Flash Point:298.2 °C
PSA：43.78000
Density:1.114g/cm³
LogP:4.76370
XLogP3:5.5
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:2
Exact Mass:456.37157878
Heavy Atom Count:33
Complexity:744

Purity/Quality:

99%, ^*data from raw suppliers

3-BETA-HYDROXY-2-BETA,16-BETA-DIPIPERIDINO-5-ALPHA-ANDROSTAN-17-ONE 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)N4CCCCC4)CCC5C3(CC(C(C5)O)N6CCCCC6)C
Isomeric SMILES:C[C@]12CC[C@H]3[C@H]([C@@H]1C[C@@H](C2=O)N4CCCCC4)CC[C@@H]5[C@@]3(C[C@@H]([C@H](C5)O)N6CCCCC6)C
Uses Intermediate in the preparation of Dacuronium Bromide (D102700), a metabolite of neuromuscular blocking agent Pancuronium (P178500).

Technology Process of (2S,3S,5S,8R,9S,10S,13S,14S,16S)-3-hydroxy-10,13-dimethyl-2,16-di(piperidin-1-yl)-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-17-one

There total 2 articles about (2S,3S,5S,8R,9S,10S,13S,14S,16S)-3-hydroxy-10,13-dimethyl-2,16-di(piperidin-1-yl)-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-17-one 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: