N-[(1S)-1-[(3R,5S,8R,9S,10S,13S,14S,17S)-3-(dimethylamino)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethyl]-N-methylacetamide

Base Information

• Chemical Name: N-[(1S)-1-[(3R,5S,8R,9S,10S,13S,14S,17S)-3-(dimethylamino)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethyl]-N-methylacetamide
• CAS No.: 15437-92-0
• Molecular Formula: C₂₆H₄₆N₂O
• Molecular Weight: 402.664
• DSSTox Substance ID: DTXSID40487452
• Metabolomics Workbench ID: 199394
• Nikkaji Number: J13.948C
• Wikidata: Q82329471
• Mol file: 15437-92-0.mol

Synonyms:saracodine

Chemical Property of N-[(1S)-1-[(3R,5S,8R,9S,10S,13S,14S,17S)-3-(dimethylamino)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethyl]-N-methylacetamide

Chemical Property:

• Melting Point: 190-2°C
• PSA: 23.55000
• LogP: 5.44230
• XLogP3: 6.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 402.361014095
• Heavy Atom Count: 29
• Complexity: 632

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C1CCC2C1(CCC3C2CCC4C3(CCC(C4)N(C)C)C)C)N(C)C(=O)C
• Isomeric SMILES: C[C@@H]([C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@@H]4[C@@]3(CC[C@H](C4)N(C)C)C)C)N(C)C(=O)C
• Description: The leaves of Sarcococca pruniformis yield four closely related alkaloids. This base forms colourless needles when crystallized from Me2CO. When hydrolyzed with IOn H2S04 it furnishes the de acetyl compound, C22H44N2, m.p. 94-6°C.

Technology Process of N-[(1S)-1-[(3R,5S,8R,9S,10S,13S,14S,17S)-3-(dimethylamino)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethyl]-N-methylacetamide

There total 2 articles about N-[(1S)-1-[(3R,5S,8R,9S,10S,13S,14S,17S)-3-(dimethylamino)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethyl]-N-methylacetamide 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:

→ 3β-Dimethylamino-20α--pregnan, Epipachysamin A (1174-89-6,2309-42-4,15437-92-0,22953-20-4,137894-00-9)

Guidance literature:

3β-Dimethylamino-20α-methylamino-5α(?)-pregnan, Py., Acetanhydrid, Δ;

Reference yield:

→ saracodine (15437-92-0)

Guidance literature:

3α-Amino-20α(F)-methylacetamino-5α-pregnan, Formalin-Ameisensaeure;

DOI:10.1016/S0040-4020(01)96818-8