ITACITINIB ADIPATE

Details

Stereochemistry	ACHIRAL
Molecular Formula	C26H23F4N9O.C6H10O4
Molecular Weight	699.6553
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

OC(=O)CCCCC(O)=O.FC1=C(C=CN=C1C(F)(F)F)C(=O)N2CCC(CC2)N3CC(CC#N)(C3)N4C=C(C=N4)C5=NC=NC6=C5C=CN6

InChI

InChIKey=CEGWJIQFBNFMHQ-UHFFFAOYSA-N

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)

HIDE SMILES / InChI

Molecular Formula	C26H23F4N9O
Molecular Weight	553.5141
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Molecular Formula	C6H10O4
Molecular Weight	146.1412
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Approval Year

Substance Class	Chemical Created by `admin` on `Fri Dec 15 15:37:39 GMT 2023` Edited by `admin` on `Fri Dec 15 15:37:39 GMT 2023`
Record UNII	XZG407XE0Y
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

ITACITINIB ADIPATE

Official Name

English

Itacitinib adipate [WHO-DD]

Common Name

English

HEXANEDIOIC ACID, COMPD. WITH 1-(1-((3-FLUORO-2-(TRIFLUOROMETHYL)-4-PYRIDINYL)CARBONYL)-4-PIPERIDINYL)-3-(4-(7H-PYRROLO(2,3-D)PYRIMIDIN-4-YL)-1H-PYRAZOL-1-YL)-3-AZETIDINEACETONITRILE (1:1)

Systematic Name

English

INCB-039110 ADIPATE

Code

English

ITACITINIB ADIPATE [JAN]

Common Name

English

ITACITINIB ADIPATE [USAN]

Common Name

English

INCB039110 ADIPATE

Code

English

Classification Tree Code System Code

FDA ORPHAN DRUG

462014