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Details

Stereochemistry ACHIRAL
Molecular Formula C27H21ClFN3O6
Molecular Weight 537.924
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 4-((4-(4-CHLORO-2-(2-FLUORO-6-METHOXY-BENZOYL)PHENYL)-5-(HYDROXYMETHYL)PYRIMIDIN-2-YL)AMINO)-2-METHOXY-BENZOIC ACID

SMILES

COC1=CC(NC2=NC=C(CO)C(=N2)C3=CC=C(Cl)C=C3C(=O)C4=C(OC)C=CC=C4F)=CC=C1C(O)=O

InChI

InChIKey=OJKTYZXWBUJGKL-UHFFFAOYSA-N
InChI=1S/C27H21ClFN3O6/c1-37-21-5-3-4-20(29)23(21)25(34)19-10-15(28)6-8-17(19)24-14(13-33)12-30-27(32-24)31-16-7-9-18(26(35)36)22(11-16)38-2/h3-12,33H,13H2,1-2H3,(H,35,36)(H,30,31,32)

HIDE SMILES / InChI

Molecular Formula C27H21ClFN3O6
Molecular Weight 537.924
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 21:07:10 UTC 2023
Edited
by admin
on Thu Jul 06 21:07:10 UTC 2023
Record UNII
8231LB4LPO
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
4-((4-(4-CHLORO-2-(2-FLUORO-6-METHOXY-BENZOYL)PHENYL)-5-(HYDROXYMETHYL)PYRIMIDIN-2-YL)AMINO)-2-METHOXY-BENZOIC ACID
Systematic Name English
ALISERTIB METABOLITE M14
Common Name English
Code System Code Type Description
PUBCHEM
145996638
Created by admin on Thu Jul 06 21:07:10 UTC 2023 , Edited by admin on Thu Jul 06 21:07:10 UTC 2023
PRIMARY
FDA UNII
8231LB4LPO
Created by admin on Thu Jul 06 21:07:10 UTC 2023 , Edited by admin on Thu Jul 06 21:07:10 UTC 2023
PRIMARY
Related Record Type Details
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