UPADACITINIB TARTRATE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C17H19F3N6O.C4H6O6.4H2O
Molecular Weight	602.5155
Optical Activity	UNSPECIFIED
Defined Stereocenters	4 / 4
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

O.O.O.O.O[C@H]([C@@H](O)C(O)=O)C(O)=O.CC[C@@H]1CN(C[C@@H]1C2=CN=C3C=NC4=C(C=CN4)N23)C(=O)NCC(F)(F)F

InChI

InChIKey=LATZVDXOTDYECD-ARKNDKGZSA-N

InChI=1S/C17H19F3N6O.C4H6O6.4H2O/c1-2-10-7-25(16(27)24-9-17(18,19)20)8-11(10)13-5-22-14-6-23-15-12(26(13)14)3-4-21-15;5-1(3(7)8)2(6)4(9)10;;;;/h3-6,10-11,21H,2,7-9H2,1H3,(H,24,27);1-2,5-6H,(H,7,8)(H,9,10);4*1H2/t10-,11+;1-,2-;;;;/m11..../s1

HIDE SMILES / InChI

Molecular Formula	C17H19F3N6O
Molecular Weight	380.3676
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	2 / 2
E/Z Centers	0
Optical Activity	UNSPECIFIED

Molecular Formula	H2O
Molecular Weight	18.0153
Charge	0
Count

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

Molecular Formula	C4H6O6
Molecular Weight	150.0868
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	2 / 2
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 08:55:06 UTC 2023` Edited by `admin` on `Sat Dec 16 08:55:06 UTC 2023`
Record UNII	7KCW9IQM02
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

UPADACITINIB TARTRATE

Official Name

English

UPADACITINIB TARTRATE [USAN]

Common Name

English

ABT-494 TARTRATE TETRAHYDRATE

Code

English

UPADACITINIB TARTRATE TETRAHYDRATE

Common Name

English

1-PYRROLIDINECARBOXAMIDE, 3-ETHYL-4-(3H-IMIDAZO(1,2-A)PYRROLO(2,3-E)PYRAZIN-8-YL)-N-(2,2,2-TRIFLUOROETHYL)-, (3S,4R)-, (2R,3R)-2,3-DIHYDROXYBUTANEDIOATE, HYDRATE (1:1:4)

Systematic Name

English

(3S,4R)-3-ETHYL-4-(3H-IMIDAZO(1,2-A)PYRROLO(2,3-E)PYRAZIN-8-YL)-N-(2,2,2-TRIFLUOROETHYL)PYRROLIDINE-1-CARBOXAMIDE, (2R,3R)-2,3-DIHYDROXYBUTANEDIOATE, TETRAHYDRATE

Systematic Name

English

Classification Tree Code System Code

FDA ORPHAN DRUG

485415