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Details

Stereochemistry ACHIRAL
Molecular Formula C21H23N5O3S.ClH
Molecular Weight 461.965
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of FILGOTINIB HYDROCHLORIDE ANHYDROUS

SMILES

Cl.O=C(NC1=NN2C(C=CC=C2C3=CC=C(CN4CCS(=O)(=O)CC4)C=C3)=N1)C5CC5

InChI

InChIKey=QYTWFVRLLJNQFS-UHFFFAOYSA-N
InChI=1S/C21H23N5O3S.ClH/c27-20(17-8-9-17)23-21-22-19-3-1-2-18(26(19)24-21)16-6-4-15(5-7-16)14-25-10-12-30(28,29)13-11-25;/h1-7,17H,8-14H2,(H,23,24,27);1H

HIDE SMILES / InChI

Molecular Formula ClH
Molecular Weight 36.461
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C21H23N5O3S
Molecular Weight 425.504
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 08:07:04 UTC 2023
Edited
by admin
on Sat Dec 16 08:07:04 UTC 2023
Record UNII
465AWI19JW
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
FILGOTINIB HYDROCHLORIDE ANHYDROUS
Common Name English
CYCLOPROPANECARBOXAMIDE, N-(5-(4-((1,1-DIOXIDO-4-THIOMORPHOLINYL)METHYL)PHENYL)(1,2,4)TRIAZOLO(1,5-A)PYRIDIN-2-YL)-, HYDROCHLORIDE (1:1)
Systematic Name English
Code System Code Type Description
FDA UNII
465AWI19JW
Created by admin on Sat Dec 16 08:07:04 UTC 2023 , Edited by admin on Sat Dec 16 08:07:04 UTC 2023
PRIMARY
EVMPD
SUB197231
Created by admin on Sat Dec 16 08:07:04 UTC 2023 , Edited by admin on Sat Dec 16 08:07:04 UTC 2023
PRIMARY
PUBCHEM
76971931
Created by admin on Sat Dec 16 08:07:04 UTC 2023 , Edited by admin on Sat Dec 16 08:07:04 UTC 2023
PRIMARY
SMS_ID
100000182935
Created by admin on Sat Dec 16 08:07:04 UTC 2023 , Edited by admin on Sat Dec 16 08:07:04 UTC 2023
PRIMARY
Related Record Type Details
SOLVATE->ANHYDROUS
Related Record Type Details
ACTIVE MOIETY