Danicopan metabolite M582

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C26H25BrFN7O3
Molecular Weight	582.424
Optical Activity	UNSPECIFIED
Defined Stereocenters	3 / 3
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

C[C@H](O)C1=NN(CC(=O)N2C[C@H](F)C[C@H]2C(=O)NC3=CC=CC(Br)=N3)C4=C1C=C(C=C4)C5=CN=C(C)N=C5

InChI

InChIKey=AQGKBCYKVYEJRB-HLLQZAQXSA-N

InChI=1S/C26H25BrFN7O3/c1-14(36)25-19-8-16(17-10-29-15(2)30-11-17)6-7-20(19)35(33-25)13-24(37)34-12-18(28)9-21(34)26(38)32-23-5-3-4-22(27)31-23/h3-8,10-11,14,18,21,36H,9,12-13H2,1-2H3,(H,31,32,38)/t14-,18+,21-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C26H25BrFN7O3
Molecular Weight	582.424
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	3 / 3
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Wed Apr 02 19:55:20 GMT 2025` Edited by `admin` on `Wed Apr 02 19:55:20 GMT 2025`
Record UNII	3Z3BS44CUM
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

ACH-0145069

Preferred Name

English

Danicopan metabolite M582

Common Name

English

2-Pyrrolidinecarboxamide, N-(6-bromo-2-pyridinyl)-4-fluoro-1-[2-[3-[(1S)-1-hydroxyethyl]-5-(2-methyl-5-pyrimidinyl)-1H-indazol-1-yl]acetyl]-, (2S,4R)-

Systematic Name

English

(2S,4R)-N-(6-Bromopyridin-2-yl)-4-fluoro-1-(2-(3-((S)-1-hydroxyethyl)-5-(2-methylpyrimidin-5-yl)-1H-indazol-1-yl)acetyl)pyrrolidine-2-carboxamide

Systematic Name

English

Code System Code Type Description

FDA UNII

3Z3BS44CUM

Created by admin on Wed Apr 02 19:55:20 GMT 2025 , Edited by admin on Wed Apr 02 19:55:20 GMT 2025

PRIMARY

CAS

2086178-78-9

Created by admin on Wed Apr 02 19:55:20 GMT 2025 , Edited by admin on Wed Apr 02 19:55:20 GMT 2025

PRIMARY

PUBCHEM

126623306

Created by admin on Wed Apr 02 19:55:20 GMT 2025 , Edited by admin on Wed Apr 02 19:55:20 GMT 2025

PRIMARY

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Danicopan

PARENT -> METABOLITE

Amount: