Catalog No.:AA006GOU

67472-42-8 | (2S,3S,4S,5R,6S)-6-[2-[2-(4-chlorophenyl)benzooxazol-5-yl]propanoyloxy]-3,4,5-trihydroxy-oxane-2-carboxylic acid

Name: Name:(2S,3S,4S,5R,6S)-6-[2-[2-(4-chlorophenyl)benzooxazol-5-yl]propanoyloxy]-3,4,5-trihydroxy-oxane-2-carboxylic acid
Brand: AABLOCKS
SKU: AA006GOU
Availability: InStock
Rating: 90 (10 reviews)

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5mg

3 weeks

$3,155.00 $2,208.00

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Technical Information
Properties
Literature
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Technical Information
Properties
Literature

Technical Information

Catalog Number:

AA006GOU

Chemical Name:

(2S,3S,4S,5R,6S)-6-[2-[2-(4-chlorophenyl)benzooxazol-5-yl]propanoyloxy]-3,4,5-trihydroxy-oxane-2-carboxylic acid

CAS Number:

67472-42-8

Molecular Formula:

C22H20ClNO9

Molecular Weight:

477.8485

SMILES:

O=C(C(c1ccc2c(c1)nc(o2)c1ccc(cc1)Cl)C)O[C@@H]1O[C@H](C(=O)O)[C@H]([C@@H]([C@H]1O)O)O

Properties

Form:

Solid

MP:

>132°C (dec.)

Storage:

-20 ℃;

Computed Properties

Complexity:

718

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Rotatable Bond Count:

Undefined Atom Stereocenter Count:

XLogP3:

2.5

Literature

Title: Toxicological evaluation of acyl glucuronides utilizing half-lives, peptide adducts, and immunostimulation assays.

Journal: Toxicology in vitro : an international journal published in association with BIBRA 20151225

Title: Effects of clofibric acid on the biliary excretion of benoxaprofen glucuronide and taurine conjugate in rats.

Journal: Die Pharmazie 20111001

Title: Glucuronidation and covalent protein binding of benoxaprofen and flunoxaprofen in sandwich-cultured rat and human hepatocytes.

Journal: Drug metabolism and disposition: the biological fate of chemicals 20091201

Title: Glycerolysis of acyl glucuronides as an artifact of in vitro drug metabolism incubations.

Journal: Drug metabolism and disposition: the biological fate of chemicals 20090801

Title: Mechanisms for covalent binding of benoxaprofen glucuronide to human serum albumin. Studies By tandem mass spectrometry.

Journal: Drug metabolism and disposition: the biological fate of chemicals 19980301

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