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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
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Tue Apr 01 19:40:47 GMT 2025
Edited
by admin
on Tue Apr 01 19:40:47 GMT 2025
Record UNII
XB1K237ZDH
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
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
Common Name English
NSC-382715
Preferred Name English
1H-PYRAZOLO(3,4-B)PYRIDINE-5-ACETIC ACID, 2,3-DIHYDRO-4-HYDROXY-6-(4-HYDROXY-3-METHOXYPHENYL)-.ALPHA.,3-DIOXO-2-PHENYL-, METHYL ESTER
Systematic Name English
Code System Code Type Description
NSC
382715
Created by admin on Tue Apr 01 19:40:47 GMT 2025 , Edited by admin on Tue Apr 01 19:40:47 GMT 2025
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FDA UNII
XB1K237ZDH
Created by admin on Tue Apr 01 19:40:47 GMT 2025 , Edited by admin on Tue Apr 01 19:40:47 GMT 2025
PRIMARY
EPA CompTox
DTXSID40176571
Created by admin on Tue Apr 01 19:40:47 GMT 2025 , Edited by admin on Tue Apr 01 19:40:47 GMT 2025
PRIMARY
PUBCHEM
343303
Created by admin on Tue Apr 01 19:40:47 GMT 2025 , Edited by admin on Tue Apr 01 19:40:47 GMT 2025
PRIMARY
CAS
220752-06-7
Created by admin on Tue Apr 01 19:40:47 GMT 2025 , Edited by admin on Tue Apr 01 19:40:47 GMT 2025
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