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

Details

Stereochemistry ABSOLUTE
Molecular Formula C24H28F3N3O3.C4H6O4
Molecular Weight 581.5807
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of TAFENOQUINE SUCCINATE, (R)-

SMILES

OC(=O)CCC(O)=O.COC1=NC2=C(C(C)=C1)C(OC3=CC=CC(=C3)C(F)(F)F)=C(OC)C=C2N[C@H](C)CCCN

InChI

InChIKey=CQBKFGJRAOXYIP-XFULWGLBSA-N
InChI=1S/C24H28F3N3O3.C4H6O4/c1-14-11-20(32-4)30-22-18(29-15(2)7-6-10-28)13-19(31-3)23(21(14)22)33-17-9-5-8-16(12-17)24(25,26)27;5-3(6)1-2-4(7)8/h5,8-9,11-13,15,29H,6-7,10,28H2,1-4H3;1-2H2,(H,5,6)(H,7,8)/t15-;/m1./s1

HIDE SMILES / InChI

Molecular Formula C4H6O4
Molecular Weight 118.088
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C24H28F3N3O3
Molecular Weight 463.4926
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 01:25:09 GMT 2023
Edited
by admin
on Sat Dec 16 01:25:09 GMT 2023
Record UNII
39WAV9S05J
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
TAFENOQUINE SUCCINATE, (R)-
Common Name English
BUTANEDIOIC ACID, COMPD. WITH N4-(2,6-DIMETHOXY-4-METHYL-5-(3-(TRIFLUOROMETHYL)PHENOXY)-8-QUINOLINYL)-1,4-PENTANEDIAMINE (1:1), (R)-
Systematic Name English
Code System Code Type Description
PUBCHEM
76972540
Created by admin on Sat Dec 16 01:25:10 GMT 2023 , Edited by admin on Sat Dec 16 01:25:10 GMT 2023
PRIMARY
FDA UNII
39WAV9S05J
Created by admin on Sat Dec 16 01:25:10 GMT 2023 , Edited by admin on Sat Dec 16 01:25:10 GMT 2023
PRIMARY