oclacitinib maleate (CHEBI:751599)

CHEBI:751599 - oclacitinib maleate

Formula	C4H4O4.C15H23N5O2S
Net Charge	0
Average Mass	453.521
Monoisotopic Mass	453.16820
SMILES	CNS(=O)(=O)C[C@H]1CC[C@H](N(C)c2ncnc3nccc2-3)CC1.O=C(O)/C=C\C(=O)O
InChI	InChI=1S/C15H23N5O2S.C4H4O4/c1-16-23(21,22)9-11-3-5-12(6-4-11)20(2)15-13-7-8-17-14(13)18-10-19-15;5-3(6)1-2-4(7)8/h7-8,10-12,16H,3-6,9H2,1-2H3,(H,17,18,19);1-2H,(H,5,6)(H,7,8)/b;2-1-/t11-,12-;
InChIKey	VQIGDTLRBSNOBV-VQIYXBGXSA-N

ChEBI Ontology

Outgoing Relation(s)
	oclacitinib maleate (CHEBI:751599) is a pyrrolopyrimidine (CHEBI:38670)

Brand Name	Source
Prolevare	ChEMBL