PANOBINOSTAT HYDRATE

Details

Stereochemistry	ACHIRAL
Molecular Formula	C21H23N3O2.H2O
Molecular Weight	367.4415
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

O.CC1=C(CCNCC2=CC=C(\C=C\C(=O)NO)C=C2)C3=C(N1)C=CC=C3

InChI

InChIKey=YUKVPQZUSANPNW-ASTDGNLGSA-N

InChI=1S/C21H23N3O2.H2O/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(25)24-26;/h2-11,22-23,26H,12-14H2,1H3,(H,24,25);1H2/b11-10+;

HIDE SMILES / InChI

Molecular Formula	C21H23N3O2
Molecular Weight	349.4262
Charge	0
Count

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

Molecular Formula	H2O
Molecular Weight	18.0153
Charge	0
Count

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

Approval Year

Substance Class	Chemical Created by `admin` on `Fri Dec 15 16:23:32 UTC 2023` Edited by `admin` on `Fri Dec 15 16:23:32 UTC 2023`
Record UNII	D07V79Q44T
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

PANOBINOSTAT HYDRATE

Common Name

English

LBH-589

Code

English

LBH589

Code

English

Code System Code Type Description

PUBCHEM

76972289

Created by admin on Fri Dec 15 16:23:32 UTC 2023 , Edited by admin on Fri Dec 15 16:23:32 UTC 2023

PRIMARY

FDA UNII

D07V79Q44T

Created by admin on Fri Dec 15 16:23:32 UTC 2023 , Edited by admin on Fri Dec 15 16:23:32 UTC 2023

PRIMARY

CHEBI

85990

Created by admin on Fri Dec 15 16:23:32 UTC 2023 , Edited by admin on Fri Dec 15 16:23:32 UTC 2023

PRIMARY

DRUG BANK

DBSALT001984

Created by admin on Fri Dec 15 16:23:32 UTC 2023 , Edited by admin on Fri Dec 15 16:23:32 UTC 2023

PRIMARY

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