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Details

Stereochemistry ACHIRAL
Molecular Formula C24H27N3O4.ClH
Molecular Weight 457.95
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Givinostat hydrochloride anhydrous

SMILES

Cl.CCN(CC)CC1=CC=C2C=C(COC(=O)NC3=CC=C(C=C3)C(=O)NO)C=CC2=C1

InChI

InChIKey=QKSGNWJOQMSBEP-UHFFFAOYSA-N
InChI=1S/C24H27N3O4.ClH/c1-3-27(4-2)15-17-5-7-21-14-18(6-8-20(21)13-17)16-31-24(29)25-22-11-9-19(10-12-22)23(28)26-30;/h5-14,30H,3-4,15-16H2,1-2H3,(H,25,29)(H,26,28);1H

HIDE SMILES / InChI

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

Molecular Formula C24H27N3O4
Molecular Weight 421.4889
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 01:51:52 UTC 2023
Edited
by admin
on Sat Dec 16 01:51:52 UTC 2023
Record UNII
Z02132R2QQ
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Givinostat hydrochloride anhydrous
Common Name English
Carbamic acid, N-[4-[(hydroxyamino)carbonyl]phenyl]-, [6-[(diethylamino)methyl]-2-naphthalenyl]methyl ester, hydrochloride (1:1)
Systematic Name English
ITF2357 Hydrochloride
Code English
ITF-2357 Hydrochloride
Code English
[6-[(Diethylamino)methyl]-2-naphthalenyl]methyl N-[4-[(hydroxyamino)carbonyl]phenyl]carbamate hydrochloride (1:1)
Systematic Name English
Code System Code Type Description
PUBCHEM
10095659
Created by admin on Sat Dec 16 01:51:53 UTC 2023 , Edited by admin on Sat Dec 16 01:51:53 UTC 2023
PRIMARY
FDA UNII
Z02132R2QQ
Created by admin on Sat Dec 16 01:51:53 UTC 2023 , Edited by admin on Sat Dec 16 01:51:53 UTC 2023
PRIMARY
EPA CompTox
DTXSID90941872
Created by admin on Sat Dec 16 01:51:53 UTC 2023 , Edited by admin on Sat Dec 16 01:51:53 UTC 2023
PRIMARY
SMS_ID
100000175511
Created by admin on Sat Dec 16 01:51:53 UTC 2023 , Edited by admin on Sat Dec 16 01:51:53 UTC 2023
PRIMARY
CAS
199657-29-9
Created by admin on Sat Dec 16 01:51:53 UTC 2023 , Edited by admin on Sat Dec 16 01:51:53 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE
SOLVATE->ANHYDROUS
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ACTIVE MOIETY