(+)-Propranolol glucuronide

Base Information

Chemical Name:(+)-Propranolol glucuronide
CAS No.:58657-79-7
Molecular Formula:C₂₂H₂₉NO₈
Molecular Weight:435.474
Hs Code.:
UNII:A6A3HG2GX5
DSSTox Substance ID:DTXSID401310002
Nikkaji Number:J602.783K

Synonyms:(+)-Propranolol glucuronide;(R)-Propranolol glucuronide;A6A3HG2GX5;Propranolol glucuronide, (+)-;58657-79-7;(2S,3S,4S,5R,6R)-3,4,5-Trihydroxy-6-((2R)-1-naphthalen-1-yloxy-3-(propan-2-ylamino)propan-2-yl)oxyoxane-2-carboxylic acid;UNII-A6A3HG2GX5;DTXSID401310002;(1R)-1-(((1-METHYLETHYL)AMINO)METHYL)-2-(1-NAPHTHALENYLOXY)ETHYL .BETA.-D-GLUCOPYRANOSIDURONIC ACID;(1R)-1-(((1-Methylethyl)amino)methyl)-2-(1-naphthalenyloxy)ethyl beta-D-glucopyranosiduronic acid;.BETA.-D-GLUCOPYRANOSIDURONIC ACID, (1R)-1-(((1-METHYLETHYL)AMINO)METHYL)-2-(1-NAPHTHALENYLOXY)ETHYL;beta-D-Glucopyranosiduronic acid, (1R)-1-(((1-methylethyl)amino)methyl)-2-(1-naphthalenyloxy)ethyl

Suppliers and Price of (+)-Propranolol glucuronide

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

Total 1 raw suppliers

Chemical Property of (+)-Propranolol glucuronide

Chemical Property:

XLogP3:-0.7
Hydrogen Bond Donor Count:5
Hydrogen Bond Acceptor Count:9
Rotatable Bond Count:9
Exact Mass:435.18931688
Heavy Atom Count:31
Complexity:576

Purity/Quality:: 95% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:CC(C)NCC(COC1=CC=CC2=CC=CC=C21)OC3C(C(C(C(O3)C(=O)O)O)O)O
Isomeric SMILES:CC(C)NC[C@H](COC1=CC=CC2=CC=CC=C21)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)C(=O)O)O)O)O

Technology Process of (+)-Propranolol glucuronide

There total 2 articles about (+)-Propranolol 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:

: 87102-67-8
methyl (2R)-<1-(1'-naphthoxy)-3-(isopropylamino)-2-propyl-2,3,4-tri-O-acetyl-β-D-glucopyranosid>uronate

: 58657-79-7
(R)-propranolol β-D-glucuronide

Guidance literature:: With sodium methylate; In methanol; at 30 ℃; for 0.666667h;
DOI:10.1021/jm00366a005

Reference yield:

: methyl <1-(1'-naphthoxy)-3-azido-2-propyl-2,3,4-tri-O-acetyl-β-D-glucopyranosid>uronate

: 58657-79-7
(R)-propranolol β-D-glucuronide

Guidance literature:: Multi-step reaction with 2 steps

1: H₂ / PtO₂ / ethanol / 8 h / 1551.4 Torr

2: 441 mg / NaOMe / methanol / 0.67 h / 30 °C

With hydrogen; sodium methylate; platinum(IV) oxide; In methanol; ethanol;
DOI:10.1021/jm00366a005