CAS 94731-13-2 4-Hydroxy Propranolol Beta-D-Glucuronide (Mixture of Diastereomers)

CAT	APS94731132
CAS	94731-13-2
Structure
IUPAC Name	(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[4-[2-hydroxy-3-(propan-2-ylamino)propoxy]naphthalen-1-yl]oxyoxane-2-carboxylic acid
Molecular Weight	451.47
Molecular Formula	C22H29NO9
Canonical SMILES	CC(C)NCC(O)COc1ccc(O[C@@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2O)C(=O)O)c3ccccc13
InChI	InChI=1S/C22H29NO9/c1-11(2)23-9-12(24)10-30-15-7-8-16(14-6-4-3-5-13(14)15)31-22-19(27)17(25)18(26)20(32-22)21(28)29/h3-8,11-12,17-20,22-27H,9-10H2,1-2H3,(H,28,29)/t12?,17-,18-,19+,20-,22+/m0/s1

Accurate Mass	451.1842
Format	Neat
Subcategory	Cardiac drugs and beta blockers

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CAT	Size	Shipping	Storage Conditions	Description
APS94731132-10MG	10MG	Room Temperature	-20°C Freezer	Product Type: Impurity	Inquiry
APS94731132-5MG	5MG	Room Temperature	-20°C Freezer		Inquiry