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2-Chloro Hippuric Acid-[d3]

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General Information
Catalog: BLP-002045
CAS: 1794816-82-2
Molecular Formula: C9H5D3ClNO3
Molecular Weight: 216.64

Chemical Structure

Description	2-Chloro Hippuric Acid-[d3], is the labelled analogue of 2-Chloro Hippuric Acid, which is a metabolite of Isoprophenamine and Ticlopidine.
Synonyms	(2-Chlorobenzoylamino)acetic Acid-d3; N-(2-Chlorobenzoyl)glycine-d3; N-(O-Chlorobenzoyl)glycine-d3; O-Chlorobenzoylglycine-d3; O-Chlorohippuric Acid-d3; 2-Chloro Hippuric Acid-d3
IUPAC Name	2-[(2-chloro-6-deuteriobenzoyl)amino]-2,2-dideuterioacetic acid
Related CAS	16555-60-5 (unlabelled)
Canonical SMILES	C1=CC=C(C(=C1)C(=O)NCC(=O)O)Cl
InChI	InChI=1S/C9H8ClNO3/c10-7-4-2-1-3-6(7)9(14)11-5-8(12)13/h1-4H,5H2,(H,11,14)(H,12,13)/i3D,5D2
InChI Key	GVHWTQYNZUNGIA-JXIVCAPZSA-N
Boiling Point	441.9±30.0 °C at 760 mmHg
Melting Point	178-180°C
Purity	98% (CP); 97% atom D
Density	1.4±0.1 g/cm3
Solubility	Soluble in DMSO, Methanol
Appearance	White to Off-white Solid