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Details

Stereochemistry RACEMIC
Molecular Formula C27H20ClFN4O5
Molecular Weight 534.923
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 4-((9-CHLORO-7-(2-FLUORO-6-METHOXY-PHENYL)-5-HYDROXY-5H-PYRIMIDO(5,4-D)(2)BENZAZEPIN-2-YL)AMINO)-2-METHOXY-BENZOIC ACID

SMILES

COC1=CC(NC2=NC=C3C(O)N=C(C4=CC(Cl)=CC=C4C3=N2)C5=C(OC)C=CC=C5F)=CC=C1C(O)=O

InChI

InChIKey=MLDJPRSKKCBPHJ-UHFFFAOYSA-N
InChI=1S/C27H20ClFN4O5/c1-37-20-5-3-4-19(29)22(20)24-17-10-13(28)6-8-15(17)23-18(25(34)32-24)12-30-27(33-23)31-14-7-9-16(26(35)36)21(11-14)38-2/h3-12,25,34H,1-2H3,(H,35,36)(H,30,31,33)

HIDE SMILES / InChI

Molecular Formula C27H20ClFN4O5
Molecular Weight 534.923
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 Thu Jul 06 21:08:26 UTC 2023
Edited
by admin
on Thu Jul 06 21:08:26 UTC 2023
Record UNII
LX8YN9NND7
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
4-((9-CHLORO-7-(2-FLUORO-6-METHOXY-PHENYL)-5-HYDROXY-5H-PYRIMIDO(5,4-D)(2)BENZAZEPIN-2-YL)AMINO)-2-METHOXY-BENZOIC ACID
Systematic Name English
HYDROXY-ALISERTIB
Common Name English
ALISERTIB METABOLITE M3
Common Name English
Code System Code Type Description
PUBCHEM
165412032
Created by admin on Thu Jul 06 21:08:26 UTC 2023 , Edited by admin on Thu Jul 06 21:08:26 UTC 2023
PRIMARY
FDA UNII
LX8YN9NND7
Created by admin on Thu Jul 06 21:08:26 UTC 2023 , Edited by admin on Thu Jul 06 21:08:26 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> METABOLITE
MINOR
PLASMA
PARENT -> METABOLITE
MAJOR
FECAL