Bazedoxifene Bis-|A-D-Glucuronide

Base Information

• Chemical Name: Bazedoxifene Bis-|A-D-Glucuronide
• CAS No.: 328933-67-1
• Molecular Formula: C₄₂H₅₀N₂O₁₅
• Molecular Weight: 822.863
• UNII: KGU18138S7
• DSSTox Substance ID: DTXSID30432138
• Wikidata: Q82246197
• Mol file: 328933-67-1.mol

Synonyms:Bazedoxifene Bis-|A-D-Glucuronide;328933-67-1;KGU18138S7;WAY-14522;UNII-KGU18138S7;(2S,3S,4S,5R,6S)-6-[4-[1-[[4-[2-(azepan-1-yl)ethoxy]phenyl]methyl]-5-[(2S,3R,4S,5S,6S)-6-carboxy-3,4,5-trihydroxyoxan-2-yl]oxy-3-methylindol-2-yl]phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid;4-(5-(beta-D-Glucopyranuronosyloxy)-1-((4-(2-(hexahydro-1H-azepin-1-yl)ethoxy)phenyl)methyl)-3-methyl-1H-indol-2-yl)phenyl beta-D-glucopyranosiduronic acid;beta-D-Glucopyranosiduronic acid, 4-(5-(beta-D-glucopyranuronosyloxy)-1-((4-(2-(hexahydro-1H-azepin-1-yl)ethoxy)phenyl)methyl)-3-methyl-1H-indol-2-yl)phenyl;DTXSID30432138;.BETA.-D-GLUCOPYRANOSIDURONIC ACID, 4-(5-(.BETA.-D-GLUCOPYRANURONOSYLOXY)-1-((4-(2-(HEXAHYDRO-1H-AZEPIN-1-YL)ETHOXY)PHENYL)METHYL)-3-METHYL-1H-INDOL-2-YL)PHENYL;4-(5-(.BETA.-D-GLUCOPYRANURONOSYLOXY)-1-((4-(2-(HEXAHYDRO-1H-AZEPIN-1-YL)ETHOXY)PHENYL)METHYL)-3-METHYL-1H-INDOL-2-YL)PHENYL .BETA.-D-GLUCOPYRANOSIDURONIC ACID

Chemical Property of Bazedoxifene Bis-|A-D-Glucuronide

Chemical Property:

• PSA: 250.30000
• LogP: 1.39970
• XLogP3: 0.7
• Hydrogen Bond Donor Count: 8
• Hydrogen Bond Acceptor Count: 16
• Rotatable Bond Count: 13
• Exact Mass: 822.32111889
• Heavy Atom Count: 59
• Complexity: 1360

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(N(C2=C1C=C(C=C2)OC3C(C(C(C(O3)C(=O)O)O)O)O)CC4=CC=C(C=C4)OCCN5CCCCCC5)C6=CC=C(C=C6)OC7C(C(C(C(O7)C(=O)O)O)O)O
• Isomeric SMILES: CC1=C(N(C2=C1C=C(C=C2)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)C(=O)O)O)O)O)CC4=CC=C(C=C4)OCCN5CCCCCC5)C6=CC=C(C=C6)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)C(=O)O)O)O)O

Technology Process of Bazedoxifene Bis-|A-D-Glucuronide

There total 1 articles about Bazedoxifene Bis-|A-D-Glucuronide 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:

2,3,4-O-triacetyl-1-O-[4-[1-[4-[2-(hexahydro-1H-azepin-1-yl)ethoxy]benzyl]-3-methyl-5-[(2,3,4-O-triacaetyl-6-O-methyl-beta-D-glucopyranuronylosyl)oxy]-1H-indol-2-yl]phenyl]-beta-D-glucopyranosiduronic acid methyl ester → 4-[5-(beta-D-glucopyranuronosyloxy)-1-[4-[2-(hexahydro-1H-azepin-1-yl)ethoxy]-benzyl]-3-methyl-1H-indol-2-yl]phenyl-beta-D-glucopyranosiduronic acid (328933-67-1)

Guidance literature:

2,3,4-O-triacetyl-1-O-[4-[1-[4-[2-(hexahydro-1H-azepin-1-yl)ethoxy]benzyl]-3-methyl-5-[(2,3,4-O-triacaetyl-6-O-methyl-beta-D-glucopyranuronylosyl)oxy]-1H-indol-2-yl]phenyl]-beta-D-glucopyranosiduronic acid methyl ester; With methanol; lithium hydroxide; water; In 1,4-dioxane; at 60 ℃; for 2h;

With acetic acid; In 1,4-dioxane; at 20 ℃;

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