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Details

Stereochemistry ABSOLUTE
Molecular Formula C22H21F3N4O3S
Molecular Weight 478.487
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ELIAPIXANT

SMILES

C[C@@H](NC(=O)C1=CC(O[C@@H]2CCOC2)=CC(=C1)C3=NC=C(C)S3)C4=CN=C(N=C4)C(F)(F)F

InChI

InChIKey=GTQPEQGDLVSFJO-CXAGYDPISA-N
InChI=1S/C22H21F3N4O3S/c1-12-8-26-20(33-12)15-5-14(6-18(7-15)32-17-3-4-31-11-17)19(30)29-13(2)16-9-27-21(28-10-16)22(23,24)25/h5-10,13,17H,3-4,11H2,1-2H3,(H,29,30)/t13-,17-/m1/s1

HIDE SMILES / InChI

Molecular Formula C22H21F3N4O3S
Molecular Weight 478.487
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 15:05:10 GMT 2023
Edited
by admin
on Sat Dec 16 15:05:10 GMT 2023
Record UNII
9GH7E6347B
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ELIAPIXANT
USAN   INN  
Official Name English
eliapixant [INN]
Common Name English
BENZAMIDE, 3-(5-METHYL-2-THIAZOLYL)-5-(((3R)-TETRAHYDRO-3-FURANYL)OXY)-N-((1R)-1-(2-(TRIFLUOROMETHYL)-5-PYRIMIDINYL)ETHYL)-
Systematic Name English
ELIAPIXANT [USAN]
Common Name English
3-(5-METHYLTHIAZOL-2-YL)-5-((3R)-TETRAHYDROFURAN-3-YL)OXY-N-((1R)-1-(2-(TRIFLUOROMETHYL)PYRIMIDIN-5-YL)ETHYL)BENZAMIDE
Systematic Name English
BAY1817080
Code English
BAY-1817080
Code English
Code System Code Type Description
CAS
1948229-21-7
Created by admin on Sat Dec 16 15:05:10 GMT 2023 , Edited by admin on Sat Dec 16 15:05:10 GMT 2023
PRIMARY
SMS_ID
300000023872
Created by admin on Sat Dec 16 15:05:10 GMT 2023 , Edited by admin on Sat Dec 16 15:05:10 GMT 2023
PRIMARY
USAN
KL-30
Created by admin on Sat Dec 16 15:05:10 GMT 2023 , Edited by admin on Sat Dec 16 15:05:10 GMT 2023
PRIMARY
NCI_THESAURUS
C175513
Created by admin on Sat Dec 16 15:05:10 GMT 2023 , Edited by admin on Sat Dec 16 15:05:10 GMT 2023
PRIMARY
INN
11269
Created by admin on Sat Dec 16 15:05:10 GMT 2023 , Edited by admin on Sat Dec 16 15:05:10 GMT 2023
PRIMARY
PUBCHEM
121397587
Created by admin on Sat Dec 16 15:05:10 GMT 2023 , Edited by admin on Sat Dec 16 15:05:10 GMT 2023
PRIMARY
FDA UNII
9GH7E6347B
Created by admin on Sat Dec 16 15:05:10 GMT 2023 , Edited by admin on Sat Dec 16 15:05:10 GMT 2023
PRIMARY
Related Record Type Details
TARGET -> INHIBITOR
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ACTIVE MOIETY
ALLOSTERIC INHIBITOR