2-(Carboxymethyl)-2,4-dihydroxy-4-oxobutanoate;5-phenyl-3-(2-piperidin-1-ium-1-ylethyl)-1,2-oxazole

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Catalog Number

ACM985842

Product Name

CAS

985-84-2

Category

Heterocyclic Organic Compound

Synonyms

CID13799, 3-(2-Piperidinoethyl)-5-phenylisoxazole citrate, LS-86697, ISOXAZOLE, 5-PHENYL-3-(2-PIPERIDINOETHYL)-, CITRATE, 985-84-2

IUPAC Name

2-(carboxymethyl)-2,4-dihydroxy-4-oxobutanoate; 5-phenyl-3-(2-piperidin-1-ium-1-ylethyl)-1,2-oxazole

Molecular Weight

448.466 g/mol

Molecular Formula

C₂₂H₂₈N₂O₈

Canonical SMILES

C1CC[NH+](CC1)CCC2=NOC(=C2)C3=CC=CC=C3.C(C(=O)O)C(CC(=O)O)(C(=O)[O-])O

InChI Key

PVXAECMKNYIEOD-UHFFFAOYSA-N

Boiling Point

398.5ºC at 760 mmHg

Flash Point

194.8ºC

Exact Mass

448.18500

H-Bond Acceptor

H-Bond Donor

MSDS

COA

Spec Sheet

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