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Details

Stereochemistry ACHIRAL
Molecular Formula C44H32N4O6S2
Molecular Weight 776.878
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of FIMAPORFIN C

SMILES

OS(=O)(=O)C1=CC=C(C=C1)C2=C3NC(C=C3)=C(C4=NC(CC4)=C(C5=CC=C(N5)C(=C6C=CC2=N6)C7=CC=C(C=C7)S(O)(=O)=O)C8=CC=CC=C8)C9=CC=CC=C9

InChI

InChIKey=XGNHOEHKLYUCKL-JAAFTSFNSA-N
InChI=1S/C44H32N4O6S2/c49-55(50,51)31-15-11-29(12-16-31)43-37-23-21-35(46-37)41(27-7-3-1-4-8-27)33-19-20-34(45-33)42(28-9-5-2-6-10-28)36-22-24-38(47-36)44(40-26-25-39(43)48-40)30-13-17-32(18-14-30)56(52,53)54/h1-18,21-26,46-47H,19-20H2,(H,49,50,51)(H,52,53,54)/b41-33-,41-35-,42-34-,42-36-,43-37-,43-39-,44-38-,44-40-

HIDE SMILES / InChI

Molecular Formula C44H30N4O6S2
Molecular Weight 774.862
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Record UNII
74171G1D1F
Record Status Validated (UNII)
Record Version