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Details

Stereochemistry ACHIRAL
Molecular Formula C22H17N3O7
Molecular Weight 435.3863
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 1H-PYRAZOLO(3,4-B)PYRIDINE-5-ACETIC ACID, 2,3-DIHYDRO-4-HYDROXY-6-(4-HYDROXY-3-METHOXYPHENYL)-A,3-DIOXO-2-PHENYL-, METHYL ESTER

SMILES

COC(=O)C(=O)C1=C(O)C2=C(NN(C2=O)C3=CC=CC=C3)N=C1C4=CC=C(O)C(OC)=C4

InChI

InChIKey=HFUBSVFTVKKLFA-UHFFFAOYSA-N
InChI=1S/C22H17N3O7/c1-31-14-10-11(8-9-13(14)26)17-15(19(28)22(30)32-2)18(27)16-20(23-17)24-25(21(16)29)12-6-4-3-5-7-12/h3-10,26H,1-2H3,(H2,23,24,27)

HIDE SMILES / InChI

Molecular Formula C22H17N3O7
Molecular Weight 435.3863
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
XB1K237ZDH
Record Status Validated (UNII)
Record Version