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4-Amino-5-chloro-2-(methoxy-[13C,d3])-benzoic acid

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4-Amino-5-chloro-2-(methoxy-[13C,d3])-benzoic acid

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General Information
Catalog: BLP-005743
CAS: 1216496-86-4
Molecular Formula: [13C]C7H5D3ClNO3
Molecular Weight: 205.62

Chemical Structure

Description	4-Amino-5-chloro-2-(methoxy-[13C,d3])-benzoic acid is an isotope analogue of 4-Amino-5-chloro-2-methoxybenzoic Acid. 4-Amino-5-chloro-2-methoxybenzoic Acid is a Metoclopramide metabolite.
IUPAC Name	4-amino-5-chloro-2-(trideuterio(1-13C)methoxy)benzoic acid
Related CAS	7206-70-4 (unlabelled)
Canonical SMILES	COC1=CC(=C(C=C1C(=O)O)Cl)N
InChI	InChI=1S/C8H8ClNO3/c1-13-7-3-6(10)5(9)2-4(7)8(11)12/h2-3H,10H2,1H3,(H,11,12)/i1+1D3
InChI Key	RVEATKYEARPWRE-KQORAOOSSA-N
Melting Point	206°C (dec.)
Purity	97% by CP; 99% atom 13C
Appearance	White Solid