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Details

Stereochemistry ACHIRAL
Molecular Formula C20H15ClN4O4S
Molecular Weight 442.876
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of PHENOL, 2-CHLORO-5-((4-(4-PYRIDINYLMETHYL)-1-PHTHALAZINYL)AMINO)-, 1-(HYDROGEN SULFATE)

SMILES

OS(=O)(=O)OC1=C(Cl)C=CC(NC2=NN=C(CC3=CC=NC=C3)C4=C2C=CC=C4)=C1

InChI

InChIKey=GSCDCNAKUGLLSR-UHFFFAOYSA-N
InChI=1S/C20H15ClN4O4S/c21-17-6-5-14(12-19(17)29-30(26,27)28)23-20-16-4-2-1-3-15(16)18(24-25-20)11-13-7-9-22-10-8-13/h1-10,12H,11H2,(H,23,25)(H,26,27,28)

HIDE SMILES / InChI

Molecular Formula C20H15ClN4O4S
Molecular Weight 442.876
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 Sat Dec 16 16:10:05 GMT 2023
Edited
by admin
on Sat Dec 16 16:10:05 GMT 2023
Record UNII
WL23E38DTH
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
PHENOL, 2-CHLORO-5-((4-(4-PYRIDINYLMETHYL)-1-PHTHALAZINYL)AMINO)-, 1-(HYDROGEN SULFATE)
Systematic Name English
VATALANIB METABOLITE M11
Common Name English
Code System Code Type Description
PUBCHEM
156596535
Created by admin on Sat Dec 16 16:10:06 GMT 2023 , Edited by admin on Sat Dec 16 16:10:06 GMT 2023
PRIMARY
CAS
921198-65-4
Created by admin on Sat Dec 16 16:10:06 GMT 2023 , Edited by admin on Sat Dec 16 16:10:06 GMT 2023
PRIMARY
FDA UNII
WL23E38DTH
Created by admin on Sat Dec 16 16:10:06 GMT 2023 , Edited by admin on Sat Dec 16 16:10:06 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> METABOLITE
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URINE
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TRACE AMOUNT
FECAL