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Details

Stereochemistry ACHIRAL
Molecular Formula C24H19FN2O3
Molecular Weight 402.4177
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of SETIPIPRANT

SMILES

OC(=O)CN1C2=C(CN(CC2)C(=O)C3=CC=CC4=C3C=CC=C4)C5=C1C=CC(F)=C5

InChI

InChIKey=IHAXLPDVOWLUOS-UHFFFAOYSA-N
InChI=1S/C24H19FN2O3/c25-16-8-9-21-19(12-16)20-13-26(11-10-22(20)27(21)14-23(28)29)24(30)18-7-3-5-15-4-1-2-6-17(15)18/h1-9,12H,10-11,13-14H2,(H,28,29)

HIDE SMILES / InChI
Molecular Formula C24H19FN2O3
Molecular Weight 402.4177
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Unknown
86413
Substance Class Chemical
Created
by admin
on Sat Dec 16 16:20:00 UTC 2023
Edited
by admin
on Sat Dec 16 16:20:00 UTC 2023
Record UNII
BHF20LA2GM
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
SETIPIPRANT
INN   USAN   WHO-DD  
INN   USAN  
Official Name English
setipiprant [INN]
Common Name English
Setipiprant [WHO-DD]
Common Name English
[8-Fluoro-2-(naphthalene-1-carbonyl)-1,2,3,4-tetrahydro-5H-pyrido[4,3-b]indol-5-yl]acetic acid
Systematic Name English
ACT-129968
Code English
KYTH-105
Code English
5H-PYRIDO(4,3-B)INDOLE-5-ACETIC ACID, 8-FLUORO-1,2,3,4-TETRAHYDRO-2-(1-NAPHTHALENYLCARBONYL)-
Common Name English
SETIPIPRANT [USAN]
Common Name English
Classification Tree Code System Code
NCI_THESAURUS C574
Created by admin on Sat Dec 16 16:20:00 UTC 2023 , Edited by admin on Sat Dec 16 16:20:00 UTC 2023
Code System Code Type Description
SMS_ID
300000034373
Created by admin on Sat Dec 16 16:20:00 UTC 2023 , Edited by admin on Sat Dec 16 16:20:00 UTC 2023
PRIMARY
CAS
866460-33-5
Created by admin on Sat Dec 16 16:20:00 UTC 2023 , Edited by admin on Sat Dec 16 16:20:00 UTC 2023
PRIMARY
INN
9330
Created by admin on Sat Dec 16 16:20:00 UTC 2023 , Edited by admin on Sat Dec 16 16:20:00 UTC 2023
PRIMARY
PUBCHEM
49843471
Created by admin on Sat Dec 16 16:20:00 UTC 2023 , Edited by admin on Sat Dec 16 16:20:00 UTC 2023
PRIMARY
WIKIPEDIA
Setipiprant
Created by admin on Sat Dec 16 16:20:00 UTC 2023 , Edited by admin on Sat Dec 16 16:20:00 UTC 2023
PRIMARY
DRUG BANK
DB12562
Created by admin on Sat Dec 16 16:20:00 UTC 2023 , Edited by admin on Sat Dec 16 16:20:00 UTC 2023
PRIMARY
ChEMBL
CHEMBL2386081
Created by admin on Sat Dec 16 16:20:00 UTC 2023 , Edited by admin on Sat Dec 16 16:20:00 UTC 2023
PRIMARY
EPA CompTox
DTXSID00235739
Created by admin on Sat Dec 16 16:20:00 UTC 2023 , Edited by admin on Sat Dec 16 16:20:00 UTC 2023
PRIMARY
FDA UNII
BHF20LA2GM
Created by admin on Sat Dec 16 16:20:00 UTC 2023 , Edited by admin on Sat Dec 16 16:20:00 UTC 2023
PRIMARY
NCI_THESAURUS
C152348
Created by admin on Sat Dec 16 16:20:00 UTC 2023 , Edited by admin on Sat Dec 16 16:20:00 UTC 2023
PRIMARY
USAN
ZZ-22
Created by admin on Sat Dec 16 16:20:00 UTC 2023 , Edited by admin on Sat Dec 16 16:20:00 UTC 2023
PRIMARY
Related Record Type Details
PROSTAGLANDIN D2 RECEPTOR 2
TARGET -> INHIBITOR
Related Record Type Details
Structure of SETIPIPRANT
ACTIVE MOIETY
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