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Details

Stereochemistry RACEMIC
Molecular Formula C20H15ClN4O2
Molecular Weight 378.812
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 1-PHTHALAZINEMETHANOL, 4-((4-CHLORO-3-HYDROXYPHENYL)AMINO)-.ALPHA.-4-PYRIDINYL-

SMILES

OC(C1=CC=NC=C1)C2=NN=C(NC3=CC=C(Cl)C(O)=C3)C4=C2C=CC=C4

InChI

InChIKey=DSXBZZXMCBSQMA-UHFFFAOYSA-N
InChI=1S/C20H15ClN4O2/c21-16-6-5-13(11-17(16)26)23-20-15-4-2-1-3-14(15)18(24-25-20)19(27)12-7-9-22-10-8-12/h1-11,19,26-27H,(H,23,25)

HIDE SMILES / InChI

Molecular Formula C20H15ClN4O2
Molecular Weight 378.812
Charge 0
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 16:43:13 GMT 2023
Edited
by admin
on Sat Dec 16 16:43:13 GMT 2023
Record UNII
7OIY9ZEH0E
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
1-PHTHALAZINEMETHANOL, 4-((4-CHLORO-3-HYDROXYPHENYL)AMINO)-.ALPHA.-4-PYRIDINYL-
Systematic Name English
VATALANIB METABOLITE M22
Common Name English
Code System Code Type Description
CAS
921198-70-1
Created by admin on Sat Dec 16 16:43:14 GMT 2023 , Edited by admin on Sat Dec 16 16:43:14 GMT 2023
PRIMARY
FDA UNII
7OIY9ZEH0E
Created by admin on Sat Dec 16 16:43:14 GMT 2023 , Edited by admin on Sat Dec 16 16:43:14 GMT 2023
PRIMARY
PUBCHEM
154572852
Created by admin on Sat Dec 16 16:43:14 GMT 2023 , Edited by admin on Sat Dec 16 16:43:14 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> METABOLITE
MINOR
FECAL