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Droxidopa-[13C7] trifluoroacetic salt

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General Information
Catalog: BLP-006533
Molecular Formula: C2[13C]7H11NO5.C2HF3O2
Molecular Weight: 334.16

Chemical Structure

Description	Droxidopa-[13C7] trifluoroacetic salt is the labelled salt of Droxidopa. Droxidopa is a synthetic amino acid precursor which acts as a prodrug to the neurotransmitters norepinephrine (noradrenaline) and epinephrine (adrenaline).
Synonyms	[13C7]-L-3,4-Dihydroxyphenylserine trifluoroacetic salt; L-DOPS-13C7 trifluoroacetic salt; DOPS-13C7 trifluoroacetic salt; Northera-13C7 trifluoroacetic salt; (2S,3R)-2-amino-3-(3,4-dihydroxyphenyl)-3-hydroxypropanoic acid-13C7 trifluoroacetic salt; threo-Dopaserine-13C7 trifluoroacetic salt; [13C7]-Droxidopa trifluoroacetic salt
IUPAC Name	(2S,3R)-2-amino-3-(3,4-dihydroxy(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-trien-1-yl)-3-hydroxy(3-13C)propanoic acid;2,2,2-trifluoroacetic acid
Related CAS	23651-95-8 (unlabelled free base)
Canonical SMILES	C1=CC(=C(C=C1C(C(C(=O)O)N)O)O)O.C(=O)(C(F)(F)F)O
InChI	InChI=1S/C9H11NO5.C2HF3O2/c10-7(9(14)15)8(13)4-1-2-5(11)6(12)3-4;3-2(4,5)1(6)7/h1-3,7-8,11-13H,10H2,(H,14,15);(H,6,7)/t7-,8+;/m0./s1/i1+1,2+1,3+1,4+1,5+1,6+1,8+1;
InChI Key	CXKVEDNGPAQDOK-BVZAOPIQSA-N
Purity	≥98%; ≥99% atom 13C
Solubility	Slightly soluble in Aqueous Acid, Water (Heated, Sonicated)
Appearance	Pale Beige Solid
Storage	Store at 2-8°C