Name: Dasatinib N-Oxide-[d8]
Brand: BOC Sciences
Rating: 5 (1 reviews)

General Information

Catalog: BLP-002447

CAS: 1189988-36-0

Molecular Formula: C22H18D8ClN7O3S

Molecular Weight: 512.05

Chemical Structure

Description	Dasatinib N-Oxide-[d8], is the labelled analogue of Dasatinib N-Oxide, which is an oxidative metabolite of Dasatinib. Dasatinib is a targeted therapy used to treat certain cases of chronic myelogenous leukemia and acute lymphoblastic leukemia.
Synonyms	Dasatinib D8 N-Oxide
IUPAC Name	N-(2-chloro-6-methylphenyl)-2-[[2-methyl-6-[2,2,3,3,5,5,6,6-octadeuterio-4-(2-hydroxyethyl)-4-oxidopiperazin-4-ium-1-yl]pyrimidin-4-yl]amino]-1,3-thiazole-5-carboxamide
Related CAS	910297-52-8 (unlabelled)
Isomeric SMILES	[2H]C1(C([N+](C(C(N1C2=NC(=NC(=C2)NC3=NC=C(S3)C(=O)NC4=C(C=CC=C4Cl)C)C)([2H])[2H])([2H])[2H])(CCO)[O-])([2H])[2H])[2H]
Canonical SMILES	CC1=C(C(=CC=C1)Cl)NC(=O)C2=CN=C(S2)NC3=CC(=NC(=N3)C)N4CC[N+](CC4)(CCO)[O-]
InChI	InChI=1S/C22H26ClN7O3S/c1-14-4-3-5-16(23)20(14)28-21(32)17-13-24-22(34-17)27-18-12-19(26-15(2)25-18)29-6-8-30(33,9-7-29)10-11-31/h3-5,12-13,31H,6-11H2,1-2H3,(H,28,32)(H,24,25,26,27)/i6D2,7D2,8D2,9D2
InChI Key	UEFNEEZCTQCRAW-COMRDEPKSA-N
Melting Point	>195°C (dec.)
Purity	95% (CP); 98% atom D
Solubility	Soluble in DMSO, Methanol
Appearance	Off-white to Light Yellow Solid
Storage	Store at -20°C