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Details

Stereochemistry ACHIRAL
Molecular Formula C26H18ClFN4O4
Molecular Weight 504.897
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of O-DESMETHYL ALISERTIB

SMILES

COC1=CC(NC2=NC=C3CN=C(C4=CC(Cl)=CC=C4C3=N2)C5=C(O)C=CC=C5F)=CC=C1C(O)=O

InChI

InChIKey=UDSRUEBASZTLQC-UHFFFAOYSA-N
InChI=1S/C26H18ClFN4O4/c1-36-21-10-15(6-8-17(21)25(34)35)31-26-30-12-13-11-29-24(22-19(28)3-2-4-20(22)33)18-9-14(27)5-7-16(18)23(13)32-26/h2-10,12,33H,11H2,1H3,(H,34,35)(H,30,31,32)

HIDE SMILES / InChI

Molecular Formula C26H18ClFN4O4
Molecular Weight 504.897
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 Thu Jul 06 21:13:52 UTC 2023
Edited
by admin
on Thu Jul 06 21:13:52 UTC 2023
Record UNII
8NJ4N1L7PN
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
O-DESMETHYL ALISERTIB
Common Name English
ALISERTIB METABOLITE M2
Common Name English
BENZOIC ACID, 4-((9-CHLORO-7-(2-FLUORO-6-HYDROXYPHENYL)-5H-PYRIMIDO(5,4-D)(2)BENZAZEPIN-2-YL)AMINO)-2-METHOXY-
Systematic Name English
Code System Code Type Description
PUBCHEM
136013912
Created by admin on Thu Jul 06 21:13:52 UTC 2023 , Edited by admin on Thu Jul 06 21:13:52 UTC 2023
PRIMARY
CAS
1028486-04-5
Created by admin on Thu Jul 06 21:13:52 UTC 2023 , Edited by admin on Thu Jul 06 21:13:52 UTC 2023
PRIMARY
FDA UNII
8NJ4N1L7PN
Created by admin on Thu Jul 06 21:13:52 UTC 2023 , Edited by admin on Thu Jul 06 21:13:52 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> METABOLITE
MAJOR
PLASMA
PARENT -> METABOLITE
FECAL