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Details

Stereochemistry ACHIRAL
Molecular Formula C20H21N3O2.ClH
Molecular Weight 371.861
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of TUBASTATIN A HYDROCHLORIDE

SMILES

Cl.CN1CCC2=C(C1)C3=CC=CC=C3N2CC4=CC=C(C=C4)C(=O)NO

InChI

InChIKey=LJTSJTWIMOGKRJ-UHFFFAOYSA-N
InChI=1S/C20H21N3O2.ClH/c1-22-11-10-19-17(13-22)16-4-2-3-5-18(16)23(19)12-14-6-8-15(9-7-14)20(24)21-25;/h2-9,25H,10-13H2,1H3,(H,21,24);1H

HIDE SMILES / InChI

Molecular Formula C20H21N3O2
Molecular Weight 335.3996
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula ClH
Molecular Weight 36.461
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 Sat Dec 16 13:25:39 UTC 2023
Edited
by admin
on Sat Dec 16 13:25:39 UTC 2023
Record UNII
UHCM2AYJVX
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
TUBASTATIN A HYDROCHLORIDE
Common Name English
TUBASTATIN A HCL
Common Name English
4-((2-METHYL-3,4-DIHYDRO-1H-PYRIDO(4,3-B)INDOL-5-YL)METHYL)BENZENECARBOHYDROXAMIC ACID HYDROCHLORIDE
Systematic Name English
BENZAMIDE, N-HYDROXY-4-((1,2,3,4-TETRAHYDRO-2-METHYL-5H-PYRIDO(4,3-B)INDOL-5-YL)METHYL)-, HYDROCHLORIDE (1:1)
Systematic Name English
Code System Code Type Description
PUBCHEM
57336514
Created by admin on Sat Dec 16 13:25:39 UTC 2023 , Edited by admin on Sat Dec 16 13:25:39 UTC 2023
PRIMARY
CAS
1310693-92-5
Created by admin on Sat Dec 16 13:25:39 UTC 2023 , Edited by admin on Sat Dec 16 13:25:39 UTC 2023
PRIMARY
FDA UNII
UHCM2AYJVX
Created by admin on Sat Dec 16 13:25:39 UTC 2023 , Edited by admin on Sat Dec 16 13:25:39 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE
TARGET -> INHIBITOR
Tubastatin A HCl is a potent and selective HDAC6 inhibitor in a cell-free assay.
INHIBITOR
IC50