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Details

Stereochemistry ABSOLUTE
Molecular Formula C19H26FN3O2
Molecular Weight 347.427
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 5-FLUORO-AB-PICA

SMILES

CC(C)[C@H](NC(=O)C1=CN(CCCCCF)C2=CC=CC=C12)C(N)=O

InChI

InChIKey=GQYZBLMAONPUNX-KRWDZBQOSA-N
InChI=1S/C19H26FN3O2/c1-13(2)17(18(21)24)22-19(25)15-12-23(11-7-3-6-10-20)16-9-5-4-8-14(15)16/h4-5,8-9,12-13,17H,3,6-7,10-11H2,1-2H3,(H2,21,24)(H,22,25)/t17-/m0/s1

HIDE SMILES / InChI

Molecular Formula C19H26FN3O2
Molecular Weight 347.427
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Record UNII
DTI87HQ3GT
Record Status Validated (UNII)
Record Version