4-((4-(4-CHLORO-2-(2-FLUORO-6-METHOXY-BENZOYL)PHENYL)-5-(HYDROXYMETHYL)PYRIMIDIN-2-YL)AMINO)-2-METHOXY-BENZOIC ACID

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

Structure Search

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 `Sat Dec 16 15:34:06 UTC 2023` Edited by `admin` on `Sat Dec 16 15:34:06 UTC 2023`
Record UNII	8231LB4LPO
Record Status	`Validated (UNII)`
Record Version

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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 Sat Dec 16 15:34:06 UTC 2023 , Edited by admin on Sat Dec 16 15:34:06 UTC 2023

PRIMARY

FDA UNII

8231LB4LPO

Created by admin on Sat Dec 16 15:34:06 UTC 2023 , Edited by admin on Sat Dec 16 15:34:06 UTC 2023

PRIMARY

Related Record Type Details


					T66ES73M18

ALISERTIB

PARENT -> METABOLITE

Qualification:

FECAL

Amount: