AFN-835

Details

Stereochemistry	ACHIRAL
Molecular Formula	C21H22N2O2
Molecular Weight	334.4116
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CC1=C(CCNCC2=CC=C(\C=C\C(O)=O)C=C2)C3=C(N1)C=CC=C3

InChI

InChIKey=XVXVAVCOKYEXMZ-ZHACJKMWSA-N

InChI=1S/C21H22N2O2/c1-15-18(19-4-2-3-5-20(19)23-15)12-13-22-14-17-8-6-16(7-9-17)10-11-21(24)25/h2-11,22-23H,12-14H2,1H3,(H,24,25)/b11-10+

HIDE SMILES / InChI

Molecular Formula	C21H22N2O2
Molecular Weight	334.4116
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	1
Optical Activity	NONE

Approval Year

Substance Class	Chemical Created by `admin` on `Wed Apr 02 12:16:20 GMT 2025` Edited by `admin` on `Wed Apr 02 12:16:20 GMT 2025`
Record UNII	6JBG8WNA2J
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

AFN-835

Code

English

AFN835

Preferred Name

English

2-PROPENOIC ACID, 3-(4-(((2-(2-METHYL-1H-INDOL-3-YL)ETHYL)AMINO)METHYL)PHENYL)-, (2E)-

Systematic Name

English

(E)-3-(4-(((2-(2-METHYL-1H-INDOL-3-YL)ETHYL)AMINO)METHYL)PHENYL)ACRYLIC ACID

Systematic Name

English

(2E)-3-(4-(((2-(2-METHYL-1H-INDOL-3-YL)ETHYL)AMINO)METHYL)PHENYL)-2-PROPENOIC ACID

Systematic Name

English

PANOBINOSTAT METABOLITE M43.5

Common Name

English

Code System Code Type Description

CAS

960058-93-9

Created by admin on Wed Apr 02 12:16:20 GMT 2025 , Edited by admin on Wed Apr 02 12:16:20 GMT 2025

PRIMARY

PUBCHEM

22051600

Created by admin on Wed Apr 02 12:16:20 GMT 2025 , Edited by admin on Wed Apr 02 12:16:20 GMT 2025

PRIMARY

FDA UNII

6JBG8WNA2J

Created by admin on Wed Apr 02 12:16:20 GMT 2025 , Edited by admin on Wed Apr 02 12:16:20 GMT 2025

PRIMARY

Related Record Type Details


					9647FM7Y3Z

PANOBINOSTAT

PARENT -> METABOLITE

Qualification:

FECAL; PLASMA; URINE

Amount: