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Details

Stereochemistry RACEMIC
Molecular Formula C43H27Cl5O2
Molecular Weight 752.938
Optical Activity ( + / - )
Defined Stereocenters 0 / 3
E/Z Centers 3
Charge 0

SHOW SMILES / InChI
Structure of 1,4-Bis[2,7-dichloro-9-[(4-chlorophenyl)methylene]-9H-fluoren-4-yl]-3,6-dioxabicyclo[3.1.0]hexane

SMILES

CC(=C/C=C)\C=C1\C2=CC(Cl)=CC=C2C3=C1C=C(Cl)C=C3C4OCC5(OC45)C6=C7C8=CC=C(Cl)C=C8\C(=C\C9=CC=C(Cl)C=C9)C7=CC(Cl)=C6

InChI

InChIKey=JHFSUXUESPEVFA-POHSERPPSA-N
InChI=1S/C43H27Cl5O2/c1-3-4-22(2)13-31-33-15-25(45)9-11-29(33)39-35(31)17-27(47)19-37(39)41-42-43(50-42,21-49-41)38-20-28(48)18-36-32(14-23-5-7-24(44)8-6-23)34-16-26(46)10-12-30(34)40(36)38/h3-20,41-42H,1,21H2,2H3/b22-4+,31-13-,32-14-

HIDE SMILES / InChI

Molecular Formula C43H27Cl5O2
Molecular Weight 752.938
Charge 0
Count
Stereochemistry MIXED
Additional Stereochemistry No
Defined Stereocenters 0 / 3
E/Z Centers 3
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Mon Mar 31 23:42:07 GMT 2025
Edited
by admin
on Mon Mar 31 23:42:07 GMT 2025
Record UNII
756N9TVN3S
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
LUMEFANTRINE IMPURITY B [WHO-IP]
Preferred Name English
1,4-Bis[2,7-dichloro-9-[(4-chlorophenyl)methylene]-9H-fluoren-4-yl]-3,6-dioxabicyclo[3.1.0]hexane
Systematic Name English
Code System Code Type Description
CAS
1795129-61-1
Created by admin on Mon Mar 31 23:42:07 GMT 2025 , Edited by admin on Mon Mar 31 23:42:07 GMT 2025
PRIMARY
FDA UNII
756N9TVN3S
Created by admin on Mon Mar 31 23:42:07 GMT 2025 , Edited by admin on Mon Mar 31 23:42:07 GMT 2025
PRIMARY
Related Record Type Details
PARENT -> IMPURITY
The impurity peaks are eluted at the following relative retention with reference to lumefantrine (retention time about 10 minutes): impurity B about 4.3. The test is not valid unless the peak-to-valley ratio (Hp/Hv) is at least 2.0, where Hp = height above the baseline of the peak due to impurity A and Hv = the height above the baseline of the lowest point of the curve separating this peak from that due to lumefantrine.