itacitinib adipate (CHEBI:755859)

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CHEBI:755859 - itacitinib adipate

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ChEBI ID	CHEBI:755859
ChEBI Name	itacitinib adipate
Stars
Last Modified	29 June 2026
Submitter	ChEMBL
Downloads	Molfile

Formula	C6H10O4.C26H23F4N9O
Net Charge	0
Average Mass	699.666
Monoisotopic Mass	699.25408
SMILES	N#CCC1(n2cc(-c3ncnc4nccc34)cn2)CN(C2CCN(C(=O)c3ccnc(C(F)(F)F)c3F)CC2)C1.O=C(O)CCCCC(=O)O
InChI	InChI=1S/C26H23F4N9O.C6H10O4/c27-20-18(1-7-32-22(20)26(28,29)30)24(40)37-9-3-17(4-10-37)38-13-25(14-38,5-6-31)39-12-16(11-36-39)21-19-2-8-33-23(19)35-15-34-21;7-5(8)3-1-2-4-6(9)10/h1-2,7-8,11-12,15,17H,3-5,9-10,13-14H2,(H,33,34,35);1-4H2,(H,7,8)(H,9,10)
InChIKey	CEGWJIQFBNFMHQ-UHFFFAOYSA-N

Roles Classification

Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Brønsted base).

ChEBI Ontology

Outgoing Relation(s)
	itacitinib adipate (CHEBI:755859) is a aromatic carboxylic acid (CHEBI:33859)
	itacitinib adipate (CHEBI:755859) is a pyridinemonocarboxylic acid (CHEBI:26420)

Synonyms	Source
INCB039110 adipate	ChEMBL
INCB-039110 ADIPATE	ChEMBL
Itacitinib adipate	ChEMBL