U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ABSOLUTE
Molecular Formula C21H20F7N3O4S
Molecular Weight 543.455
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of BITOPERTIN

SMILES

C[C@H](OC1=CC=C(C=C1C(=O)N2CCN(CC2)C3=NC=C(C=C3F)C(F)(F)F)S(C)(=O)=O)C(F)(F)F

InChI

InChIKey=YUUGYIUSCYNSQR-LBPRGKRZSA-N
InChI=1S/C21H20F7N3O4S/c1-12(20(23,24)25)35-17-4-3-14(36(2,33)34)10-15(17)19(32)31-7-5-30(6-8-31)18-16(22)9-13(11-29-18)21(26,27)28/h3-4,9-12H,5-8H2,1-2H3/t12-/m0/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
BITOPERTIN
INN   USAN   WHO-DD  
INN   USAN  
Official Name English
RG-1678
Code English
Bitopertin [WHO-DD]
Common Name English
DISC-1459
Code English
(4-(3-FLUORO-5-(TRIFLUOROMETHYL)PYRIDIN-2-YL)PIPERAZIN-1-YL)(5-(METHANESULFONYL)-2-(((2S)-1,1,1-TRIFLUOROPROPAN-2-YL)OXY)PHENYL)METHANONE
Systematic Name English
R-1678
Code English
METHANONE, (4-(3-FLUORO-5-(TRIFLUOROMETHYL)-2-PYRIDINYL)-1-PIPERAZINYL)(5-(METHYLSULFONYL)-2-((1S)-2,2,2-TRIFLUORO-1-METHYLETHOXY)PHENYL)-
Systematic Name English
RO-4917838
Code English
PIPERAZINE, 1-(3-FLUORO-5-(TRIFLUOROMETHYL)-2-PYRIDINYL)-4-(5-(METHYLSULFONYL)-2-((1S)-2,2,2-TRIFLUORO-1-METHYLETHOXY)BENZOYL)-
Systematic Name English
bitopertin [INN]
Common Name English
RO-4917939
Code English
(4-(3-FLUORO-5-TRIFLUOROMETHYLPYRIDIN-2-YL)PIPERAZIN-1-YL)(5-METHYLSULFONYL-2-(((S)-2,2,2-TRIFLUORO-1-METHYLETHYL)OXY)PHENYL)METHANONE
Systematic Name English
RO4917838
Code English
BITOPERTIN [USAN]
Common Name English
PALIFLUTINE
Common Name English
BITOPERTIN [JAN]
Common Name English
(S)-(4-(3-FLUORO-5-TRIFLUOROMETHYLPYRIDIN-2-YL)PIPERAZIN-1-YL)(5-(METHANESULFONYL)-2-(2,2,2-TRIFLUORO-1-METHYLETHOXY)PHENYL)METHANONE
Systematic Name English
Classification Tree Code System Code
FDA ORPHAN DRUG 916222
Created by admin on Fri Dec 15 18:48:21 UTC 2023 , Edited by admin on Fri Dec 15 18:48:21 UTC 2023
FDA ORPHAN DRUG 596717
Created by admin on Fri Dec 15 18:48:21 UTC 2023 , Edited by admin on Fri Dec 15 18:48:21 UTC 2023
EU-Orphan Drug EU/3/17/1919
Created by admin on Fri Dec 15 18:48:21 UTC 2023 , Edited by admin on Fri Dec 15 18:48:21 UTC 2023
Code System Code Type Description
SMS_ID
100000175138
Created by admin on Fri Dec 15 18:48:21 UTC 2023 , Edited by admin on Fri Dec 15 18:48:21 UTC 2023
PRIMARY
PUBCHEM
24946690
Created by admin on Fri Dec 15 18:48:21 UTC 2023 , Edited by admin on Fri Dec 15 18:48:21 UTC 2023
PRIMARY
NCI_THESAURUS
C174879
Created by admin on Fri Dec 15 18:48:21 UTC 2023 , Edited by admin on Fri Dec 15 18:48:21 UTC 2023
PRIMARY
WIKIPEDIA
Bitopertin
Created by admin on Fri Dec 15 18:48:21 UTC 2023 , Edited by admin on Fri Dec 15 18:48:21 UTC 2023
PRIMARY
CAS
845614-11-1
Created by admin on Fri Dec 15 18:48:21 UTC 2023 , Edited by admin on Fri Dec 15 18:48:21 UTC 2023
PRIMARY
USAN
YY-14
Created by admin on Fri Dec 15 18:48:21 UTC 2023 , Edited by admin on Fri Dec 15 18:48:21 UTC 2023
PRIMARY
INN
9319
Created by admin on Fri Dec 15 18:48:21 UTC 2023 , Edited by admin on Fri Dec 15 18:48:21 UTC 2023
PRIMARY
EPA CompTox
DTXSID80233556
Created by admin on Fri Dec 15 18:48:21 UTC 2023 , Edited by admin on Fri Dec 15 18:48:21 UTC 2023
PRIMARY
DRUG BANK
DB12426
Created by admin on Fri Dec 15 18:48:21 UTC 2023 , Edited by admin on Fri Dec 15 18:48:21 UTC 2023
PRIMARY
FDA UNII
Q8L6AN59YY
Created by admin on Fri Dec 15 18:48:21 UTC 2023 , Edited by admin on Fri Dec 15 18:48:21 UTC 2023
PRIMARY
ChEMBL
CHEMBL1169880
Created by admin on Fri Dec 15 18:48:21 UTC 2023 , Edited by admin on Fri Dec 15 18:48:21 UTC 2023
PRIMARY