Danicopan metabolite M426

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C21H20FN5O4
Molecular Weight	425.413
Optical Activity	UNSPECIFIED
Defined Stereocenters	2 / 2
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CC(=O)C1=NN(CC(=O)N2C[C@H](F)C[C@H]2C(O)=O)C3=C1C=C(C=C3)C4=CN=C(C)N=C4

InChI

InChIKey=CNHARIWSCQSUJS-QAPCUYQASA-N

InChI=1S/C21H20FN5O4/c1-11(28)20-16-5-13(14-7-23-12(2)24-8-14)3-4-17(16)27(25-20)10-19(29)26-9-15(22)6-18(26)21(30)31/h3-5,7-8,15,18H,6,9-10H2,1-2H3,(H,30,31)/t15-,18+/m1/s1

HIDE SMILES / InChI

Molecular Formula	C21H20FN5O4
Molecular Weight	425.413
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	2 / 2
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Wed Apr 02 20:39:37 GMT 2025` Edited by `admin` on `Wed Apr 02 20:39:37 GMT 2025`
Record UNII	DD7AZ8Q2GM
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

ACH-0144240

Preferred Name

English

Danicopan metabolite M426

Common Name

English

(2S,4R)-1-[2-[3-Acetyl-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetyl]-4-fluoropyrrolidine-2-carboxylic acid

Systematic Name

English

L-Proline, 1-[2-[3-acetyl-5-(2-methyl-5-pyrimidinyl)-1H-indazol-1-yl]acetyl]-4-fluoro-, (4R)-

Systematic Name

English

Code System Code Type Description

PUBCHEM

126623788

Created by admin on Wed Apr 02 20:39:37 GMT 2025 , Edited by admin on Wed Apr 02 20:39:37 GMT 2025

PRIMARY

CAS

2087967-10-8

Created by admin on Wed Apr 02 20:39:37 GMT 2025 , Edited by admin on Wed Apr 02 20:39:37 GMT 2025

PRIMARY

FDA UNII

DD7AZ8Q2GM

Created by admin on Wed Apr 02 20:39:37 GMT 2025 , Edited by admin on Wed Apr 02 20:39:37 GMT 2025

PRIMARY

Related Record Type Details


					JM8C1SFX0U

Danicopan

PARENT -> METABOLITE INACTIVE

Interaction Type:

MAJOR

Qualification:

PLASMA

Amount: