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N-[4-[(Trifluoroacetyl)Amino]Benzoyl]-L-Glutamic Acid Dimethyl Ester-[d4]

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General Information
Catalog: BLP-012227
CAS: 461426-33-5
Molecular Formula: C16H13D4F3N2O6
Molecular Weight: 394.34

Chemical Structure

IUPAC Name	dimethyl (4S)-2,2,3,3-tetradeuterio-4-[[4-[(2,2,2-trifluoroacetyl)amino]benzoyl]amino]pentanedioate
Related CAS	233600-78-7 (unlabelled)
Canonical SMILES	COC(=O)CCC(C(=O)OC)NC(=O)C1=CC=C(C=C1)NC(=O)C(F)(F)F
InChI	InChI=1S/C16H17F3N2O6/c1-26-12(22)8-7-11(14(24)27-2)21-13(23)9-3-5-10(6-4-9)20-15(25)16(17,18)19/h3-6,11H,7-8H2,1-2H3,(H,20,25)(H,21,23)/t11-/m0/s1/i7D2,8D2
InChI Key	RXRWKOBMLFNNBA-QCSVEXGJSA-N
Boiling Point	536.3±50.0 °C at 760 mmHg
Purity	98% atom D
Density	1.4±0.1 g/cm3
Solubility	Soluble in Methanol
Appearance	Yellow Semi-Solid
Application	Intermediate in the production of labelled 5-Methyltetrahydrofolic Acid metabolites
Storage	Store at -20°C