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Details

Stereochemistry RACEMIC
Molecular Formula C26H24Cl3NO
Molecular Weight 472.834
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of DESBUTYL LUMEFANTRINE

SMILES

CCCCNCC(O)C1=CC(Cl)=CC2=C1C3=CC=C(Cl)C=C3\C2=C\C4=CC=C(Cl)C=C4

InChI

InChIKey=YLBUTQNEBVPTES-NHDPSOOVSA-N
InChI=1S/C26H24Cl3NO/c1-2-3-10-30-15-25(31)24-14-19(29)13-23-21(11-16-4-6-17(27)7-5-16)22-12-18(28)8-9-20(22)26(23)24/h4-9,11-14,25,30-31H,2-3,10,15H2,1H3/b21-11-

HIDE SMILES / InChI

Molecular Formula C26H24Cl3NO
Molecular Weight 472.834
Charge 0
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 1
Optical Activity ( + / - )

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 10:09:54 GMT 2023
Edited
by admin
on Sat Dec 16 10:09:54 GMT 2023
Record UNII
07L7O84HGW
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
DESBUTYL LUMEFANTRINE
Common Name English
DESBUTYLLUMEFANTRINE
Common Name English
(Z)-2-(BUTYLAMINO)-1-(2,7-DICHLORO-9-(4-CHLOROBENZYLIDENE)-9H-FLUOREN-4-YL)ETHANOL
Systematic Name English
LUMEFANTRINE RELATED COMPOUND DESBUTYL LUMEFANTRINE [USP IMPURITY]
Common Name English
DESBUTYL-BENFLUMETOL
Common Name English
9H-FLUORENE-4-METHANOL, .ALPHA.-((BUTYLAMINO)METHYL)-2,7-DICHLORO-9-((4-CHLOROPHENYL)METHYLENE)-, (9Z)-
Systematic Name English
Code System Code Type Description
FDA UNII
07L7O84HGW
Created by admin on Sat Dec 16 10:09:54 GMT 2023 , Edited by admin on Sat Dec 16 10:09:54 GMT 2023
PRIMARY
PUBCHEM
9934522
Created by admin on Sat Dec 16 10:09:54 GMT 2023 , Edited by admin on Sat Dec 16 10:09:54 GMT 2023
PRIMARY
CAS
252990-19-5
Created by admin on Sat Dec 16 10:09:54 GMT 2023 , Edited by admin on Sat Dec 16 10:09:54 GMT 2023
NON-SPECIFIC STEREOCHEMISTRY
CAS
355841-11-1
Created by admin on Sat Dec 16 10:09:54 GMT 2023 , Edited by admin on Sat Dec 16 10:09:54 GMT 2023
PRIMARY
EPA CompTox
DTXSID80592973
Created by admin on Sat Dec 16 10:09:54 GMT 2023 , Edited by admin on Sat Dec 16 10:09:54 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> METABOLITE
In human liver microsomes and in recombinant CYP450 enzymes, lumefantrine was metabolized mainly by CYP3A4 to desbutyl-lumefantrine
PLASMA
Related Record Type Details
PARENT -> IMPURITY
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