BARICITINIB PHOSPHATE

Details

Stereochemistry	ACHIRAL
Molecular Formula	C16H17N7O2S.H3O4P
Molecular Weight	469.412
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

OP(O)(O)=O.CCS(=O)(=O)N1CC(CC#N)(C1)N2C=C(C=N2)C3=C4C=CNC4=NC=N3

InChI

InChIKey=FBPOWTFFUBBKBB-UHFFFAOYSA-N

InChI=1S/C16H17N7O2S.H3O4P/c1-2-26(24,25)22-9-16(10-22,4-5-17)23-8-12(7-21-23)14-13-3-6-18-15(13)20-11-19-14;1-5(2,3)4/h3,6-8,11H,2,4,9-10H2,1H3,(H,18,19,20);(H3,1,2,3,4)

HIDE SMILES / InChI

Molecular Formula	C16H17N7O2S
Molecular Weight	371.417
Charge	0
Count

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

Molecular Formula	H3O4P
Molecular Weight	97.9952
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 `Sat Dec 16 14:04:38 UTC 2023` Edited by `admin` on `Sat Dec 16 14:04:38 UTC 2023`
Record UNII	XIB47S8NNB
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

BARICITINIB PHOSPHATE

Common Name

English

3-AZETIDINEACETONITRILE, 1-(ETHYLSULFONYL)-3-(4-(7H-PYRROLO(2,3-D)PYRIMIDIN-4-YL)-1H-PYRAZOL-1-YL)-, PHOSPHATE (1:1)

Systematic Name

English

BARICITINIB PHOSPHATE SALT

Common Name

English

INCB-28050

Code

English

Code System Code Type Description

CAS

1187595-84-1