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Hippuric Acid-[13C6]

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General Information
Catalog: BLP-005950
CAS: 1163160-18-6
Molecular Formula: C3[13C]6H9NO3
Molecular Weight: 185.13

Chemical Structure

Description	Hippuric Acid-[13C6] is a labelled analogue of Hippuric Acid, which is intended for use as an internal standard for the quantification of ledipasvir by GC- or LC-MS.
Synonyms	N-(Benzoyl-1,2,3,4,5,6-13C6)-glycine; Hippuric acid-(phenyl-13C6)
IUPAC Name	2-((1,2,3,4,5,6-13C6)cyclohexatrienecarbonylamino)acetic acid
Related CAS	495-69-2 (unlabelled)
Canonical SMILES	C1=CC=C(C=C1)C(=O)NCC(=O)O
InChI	InChI=1S/C9H9NO3/c11-8(12)6-10-9(13)7-4-2-1-3-5-7/h1-5H,6H2,(H,10,13)(H,11,12)/i1+1,2+1,3+1,4+1,5+1,7+1
InChI Key	QIAFMBKCNZACKA-ZXJNGCBISA-N
Purity	98% by CP; 95% atom 13C
Solubility	Slightly soluble in Methanol, DMSO
Appearance	White to Off-white Solid
Storage	Store at -20°C