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Details

Stereochemistry RACEMIC
Molecular Formula C22H22Cl2F3NO
Molecular Weight 444.317
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of DESBUTYLHALOFANTRINE

SMILES

CCCCNCCC(O)C1=CC2=C(Cl)C=C(Cl)C=C2C3=CC(=CC=C13)C(F)(F)F

InChI

InChIKey=FYHCHSNOXWVJJT-UHFFFAOYSA-N
InChI=1S/C22H22Cl2F3NO/c1-2-3-7-28-8-6-21(29)19-12-18-17(10-14(23)11-20(18)24)16-9-13(22(25,26)27)4-5-15(16)19/h4-5,9-12,21,28-29H,2-3,6-8H2,1H3

HIDE SMILES / InChI

Molecular Formula C22H22Cl2F3NO
Molecular Weight 444.317
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

Approval Year

PubMed

Substance Class Chemical
Record UNII
7K35DDV85X
Record Status Validated (UNII)
Record Version