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Details

Stereochemistry ABSOLUTE
Molecular Formula C21H20ClF3N2O4
Molecular Weight 456.843
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of QUABODEPISTAT

SMILES

O[C@@H]1CN(CC[C@@]1(O)COC2=C3CCC(=O)NC3=C(F)C=C2)C4=C(F)C=C(Cl)C=C4F

InChI

InChIKey=XZISSTDXPBUCJA-DYESRHJHSA-N
InChI=1S/C21H20ClF3N2O4/c22-11-7-14(24)20(15(25)8-11)27-6-5-21(30,17(28)9-27)10-31-16-3-2-13(23)19-12(16)1-4-18(29)26-19/h2-3,7-8,17,28,30H,1,4-6,9-10H2,(H,26,29)/t17-,21-/m1/s1

HIDE SMILES / InChI

Molecular Formula C21H20ClF3N2O4
Molecular Weight 456.843
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 12:50:01 GMT 2023
Edited
by admin
on Sat Dec 16 12:50:01 GMT 2023
Record UNII
1PQN78P4S3
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
QUABODEPISTAT
INN  
Official Name English
OPC-167832
Common Name English
quabodepistat [INN]
Common Name English
5-(((3R,4R)-1-(4-CHLORO-2,6-DIFLUOROPHENYL)-3,4-DIHYDROXYPIPERIDIN-4-YL)METHOXY)-8-FLUORO-3,4-DIHYDROQUINOLIN-2(1H)-ONE
Systematic Name English
2(1H)-QUINOLINONE, 5-(((3R,4R)-1-(4-CHLORO-2,6-DIFLUOROPHENYL)-3,4-DIHYDROXY-4-PIPERIDINYL)METHOXY)-8-FLUORO-3,4-DIHYDRO-
Systematic Name English
Classification Tree Code System Code
FDA ORPHAN DRUG 547216
Created by admin on Sat Dec 16 12:50:02 GMT 2023 , Edited by admin on Sat Dec 16 12:50:02 GMT 2023
Code System Code Type Description
PUBCHEM
118904282
Created by admin on Sat Dec 16 12:50:02 GMT 2023 , Edited by admin on Sat Dec 16 12:50:02 GMT 2023
PRIMARY
NCI_THESAURUS
C188494
Created by admin on Sat Dec 16 12:50:02 GMT 2023 , Edited by admin on Sat Dec 16 12:50:02 GMT 2023
PRIMARY
SMS_ID
300000042036
Created by admin on Sat Dec 16 12:50:02 GMT 2023 , Edited by admin on Sat Dec 16 12:50:02 GMT 2023
PRIMARY
CAS
1883747-71-4
Created by admin on Sat Dec 16 12:50:02 GMT 2023 , Edited by admin on Sat Dec 16 12:50:02 GMT 2023
PRIMARY
INN
11737
Created by admin on Sat Dec 16 12:50:02 GMT 2023 , Edited by admin on Sat Dec 16 12:50:02 GMT 2023
PRIMARY
FDA UNII
1PQN78P4S3
Created by admin on Sat Dec 16 12:50:02 GMT 2023 , Edited by admin on Sat Dec 16 12:50:02 GMT 2023
PRIMARY
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