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Details

Stereochemistry ACHIRAL
Molecular Formula C34H24BBr2F2N3O2
Molecular Weight 715.189
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ADPM-06

SMILES

COC1=CC=C(C=C1)C2=C(Br)C(=C3N=C4C(=C(Br)C(C5=CC=C(OC)C=C5)=[N+]4[B-](F)(F)N23)C6=CC=CC=C6)C7=CC=CC=C7

InChI

InChIKey=YVKIKMDAXWFEJI-UHFFFAOYSA-N
InChI=1S/C34H24BBr2F2N3O2/c1-43-25-17-13-23(14-18-25)31-29(36)27(21-9-5-3-6-10-21)33-40-34-28(22-11-7-4-8-12-22)30(37)32(42(34)35(38,39)41(31)33)24-15-19-26(44-2)20-16-24/h3-20H,1-2H3

HIDE SMILES / InChI

Molecular Formula C34H24BBr2F2N3O2
Molecular Weight 715.189
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
M887PT8U5Y
Record Status Validated (UNII)
Record Version