3,4-Dihydroxyhippuric Acid - CAS 16533-60-1

Catalog: BB062957
Product Name: 3,4-Dihydroxyhippuric Acid
CAS: 16533-60-1
Synonyms: N-Protocatechuoylglycine; Protocatechuylglycine
3,4-Dihydroxyhippuric Acid
IUPAC Name:2-[(3,4-dihydroxybenzoyl)amino]acetic acid
Description:3,4-Dihydroxy-hippuric Acid is a metabolite of 3,4-methylenedioxymethylamphetamine (M303985).
Molecular Weight:211.17
Molecular Formula:C9H9NO5
Canonical SMILES:C1=CC(=C(C=C1C(=O)NCC(=O)O)O)O
InChI:InChI=1S/C9H9NO5/c11-6-2-1-5(3-7(6)12)9(15)10-4-8(13)14/h1-3,11-12H,4H2,(H,10,15)(H,13,14)
InChI Key:QVGDKHUNWDVPOR-UHFFFAOYSA-N
Melting Point:>196°C (dec.)
Solubility:DMSO (Slightly), Methanol (Slightly)
Appearance:White to Light Yellow Solid
Storage:Refrigerator
References:Enssilin, H. et al. Drug Metab. Disp., 24, 813 (1996); Ellison, G., et al. Science, 201, 276 (1978), Escubedo, E., et al. J. Pharmacol. Exp. Ther., 315, 658 (2005); Fayuk, D., et al. J. Physiol., 566, 759 (2005), Tretter, L., et al. Neurochem. Int., 50, 139 (2007),.

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