JKH-504

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C23H26N2O4
Molecular Weight	394.4635
Optical Activity	( - )
Defined Stereocenters	2 / 2
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

COC1=C(CN2CC[C@H](O)C[C@H]2C3=CC=C(C=C3)C(O)=O)C4=C(NC=C4)C(C)=C1

InChI

InChIKey=BDYAWFURHKPDFJ-PXNSSMCTSA-N

InChI=1S/C23H26N2O4/c1-14-11-21(29-2)19(18-7-9-24-22(14)18)13-25-10-8-17(26)12-20(25)15-3-5-16(6-4-15)23(27)28/h3-7,9,11,17,20,24,26H,8,10,12-13H2,1-2H3,(H,27,28)/t17-,20-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C23H26N2O4
Molecular Weight	394.4635
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 21:14:05 GMT 2025` Edited by `admin` on `Wed Apr 02 21:14:05 GMT 2025`
Record UNII	XHQ9WK8U3Y
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

JKH-504

Code

English

JKH504

Preferred Name

English

Iptacopan metabolite M2

Common Name

English

4-[(2S,4S)-4-Hydroxy-1-[(5-methoxy-7-methyl-1H-indol-4-yl)methyl]-2-piperidinyl]benzoic acid

Systematic Name

English

Benzoic acid, 4-[(2S,4S)-4-hydroxy-1-[(5-methoxy-7-methyl-1H-indol-4-yl)methyl]-2-piperidinyl]-

Systematic Name

English

(-)-4-[(2S,4S)-4-Hydroxy-1-[(5-methoxy-7-methyl-1H-indol-4-yl)methyl]piperidin-2-yl]benzoic acid

Systematic Name

English

Code System Code Type Description

PUBCHEM

90467898

Created by admin on Wed Apr 02 21:14:05 GMT 2025 , Edited by admin on Wed Apr 02 21:14:05 GMT 2025

PRIMARY

FDA UNII

XHQ9WK8U3Y

Created by admin on Wed Apr 02 21:14:05 GMT 2025 , Edited by admin on Wed Apr 02 21:14:05 GMT 2025

PRIMARY

CAS

1644670-02-9

Created by admin on Wed Apr 02 21:14:05 GMT 2025 , Edited by admin on Wed Apr 02 21:14:05 GMT 2025

PRIMARY

Related Record Type Details


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IPTACOPAN

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Amount: