deuruxolitinib phosphate (CHEBI:757871)

CHEBI:757871 - deuruxolitinib phosphate

Formula	H3O4P.C17H10D8N6
Net Charge	0
Average Mass	412.416
Monoisotopic Mass	412.18640
SMILES	O=P(O)(O)O.[2H]C1([2H])C([C@@H](CC#N)n2cc(-c3ncnc4nccc34)cn2)C([2H])([2H])C([2H])([2H])C1([2H])[2H]
InChI	InChI=1S/C17H18N6.H3O4P/c18-7-5-15(12-3-1-2-4-12)23-10-13(9-22-23)16-14-6-8-19-17(14)21-11-20-16;1-5(2,3)4/h6,8-12,15H,1-5H2,(H,19,20,21);(H3,1,2,3,4)/t15-;/m1./s1/i1D2,2D2,3D2,4D2;
InChIKey	JFMWPOCYMYGEDM-NTVOUFPTSA-N

ChEBI Ontology

Outgoing Relation(s)
	deuruxolitinib phosphate (CHEBI:757871) is a pyrrolopyrimidine (CHEBI:38670)