BJB-432

Details

Stereochemistry	ACHIRAL
Molecular Formula	C21H23N3O
Molecular Weight	333.4268
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(N)=O)C=C2)C3=C(N1)C=CC=C3

InChI

InChIKey=VOZMMIFGJRFSNT-ZHACJKMWSA-N

InChI=1S/C21H23N3O/c1-15-18(19-4-2-3-5-20(19)24-15)12-13-23-14-17-8-6-16(7-9-17)10-11-21(22)25/h2-11,23-24H,12-14H2,1H3,(H2,22,25)/b11-10+

HIDE SMILES / InChI

Molecular Formula	C21H23N3O
Molecular Weight	333.4268
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 `Sat Dec 16 17:56:51 UTC 2023` Edited by `admin` on `Sat Dec 16 17:56:51 UTC 2023`
Record UNII	Y1FUG6Z8KL
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

BJB-432

Code

English

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

Systematic Name

English

PANOBINOSTAT METABOLITE M37.8

Common Name

English

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

Systematic Name

English

BJB432

Code

English

Code System Code Type Description

FDA UNII

Y1FUG6Z8KL

Created by admin on Sat Dec 16 17:56:51 UTC 2023 , Edited by admin on Sat Dec 16 17:56:51 UTC 2023

PRIMARY

PUBCHEM

24888322

Created by admin on Sat Dec 16 17:56:51 UTC 2023 , Edited by admin on Sat Dec 16 17:56:51 UTC 2023

PRIMARY

CAS

960058-94-0

Created by admin on Sat Dec 16 17:56:51 UTC 2023 , Edited by admin on Sat Dec 16 17:56:51 UTC 2023

PRIMARY

Related Record Type Details


					9647FM7Y3Z

PANOBINOSTAT

PARENT -> METABOLITE INACTIVE

Qualification:

FECAL; PLASMA; URINE

Amount: