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Details

Stereochemistry ABSOLUTE
Molecular Formula C23H24N4O.C4H6O6
Molecular Weight 522.5497
Optical Activity UNSPECIFIED
Defined Stereocenters 4 / 4
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ABT-288 TARTRATE

SMILES

O[C@H]([C@@H](O)C(O)=O)C(O)=O.[H][C@]12CCN(C3=CC=C(C=C3)C4=CC=C(C=C4)N5N=CC=CC5=O)[C@@]1([H])CN(C)C2

InChI

InChIKey=OBDKKKBDRYYDNK-SJZYVRFBSA-N
InChI=1S/C23H24N4O.C4H6O6/c1-25-15-19-12-14-26(22(19)16-25)20-8-4-17(5-9-20)18-6-10-21(11-7-18)27-23(28)3-2-13-24-27;5-1(3(7)8)2(6)4(9)10/h2-11,13,19,22H,12,14-16H2,1H3;1-2,5-6H,(H,7,8)(H,9,10)/t19-,22+;1-,2-/m11/s1

HIDE SMILES / InChI

Molecular Formula C4H6O6
Molecular Weight 150.0868
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 2 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Molecular Formula C23H24N4O
Molecular Weight 372.4629
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 2 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

PubMed

Substance Class Chemical
Record UNII
OA5X2NXG68
Record Status Validated (UNII)
Record Version