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Rizatriptan-[d6] Benzoate

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General Information
Catalog: BLP-012571
CAS: 1216984-85-8
Molecular Formula: C22H19D6N5O2
Molecular Weight: 397.50

Chemical Structure

Description	Rizatriptan-[d6] Benzoate is the labelled analogue of Rizatriptan benzoate. Rizatriptan is a serotonin 5-HT1 receptor agonist ("triptan"). It works by narrowing dilated blood vessels in the brain, relieving migraine headaches.
Synonyms	Rizatriptan D6 Benzoate; Benzoic acid-N,N-bis[(2H3)methyl]-2-{5-[(1H-1,2,4-triazol-1-yl)methyl]-1H-indol-3-yl}ethan-1-amine
IUPAC Name	benzoic acid;2-[5-(1,2,4-triazol-1-ylmethyl)-1H-indol-3-yl]-N,N-bis(trideuteriomethyl)ethanamine
Related CAS	145202-66-0 (unlabelled)
Isomeric SMILES	[2H]C([2H])([2H])N(CCC1=CNC2=C1C=C(C=C2)CN3C=NC=N3)C([2H])([2H])[2H].C1=CC=C(C=C1)C(=O)O
Canonical SMILES	CN(C)CCC1=CNC2=C1C=C(C=C2)CN3C=NC=N3.C1=CC=C(C=C1)C(=O)O
InChI	InChI=1S/C15H19N5.C7H6O2/c1-19(2)6-5-13-8-17-15-4-3-12(7-14(13)15)9-20-11-16-10-18-20;8-7(9)6-4-2-1-3-5-6/h3-4,7-8,10-11,17H,5-6,9H2,1-2H3;1-5H,(H,8,9)/i1D3,2D3;
InChI Key	JPRXYLQNJJVCMZ-TXHXQZCNSA-N
Melting Point	171-174°C
Purity	95% by HPLC; 95% atom D
Solubility	Soluble in DMSO, Methanol
Appearance	Off-white to Pale-Yellow Solid
Storage	Store at -20°C