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Details

Stereochemistry ACHIRAL
Molecular Formula C24H33N3O4.H3O4P
Molecular Weight 525.5317
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of IVALTINOSTAT PHOSPHATE

SMILES

OP(O)(O)=O.CN(C)CCCNC(=O)C(\COC1=C2C=CC=CC2=CC=C1)=C\CCCCC(=O)NO

InChI

InChIKey=UOKSXAOZBSWROR-DOELHFPHSA-N
InChI=1S/C24H33N3O4.H3O4P/c1-27(2)17-9-16-25-24(29)20(11-4-3-5-15-23(28)26-30)18-31-22-14-8-12-19-10-6-7-13-21(19)22;1-5(2,3)4/h6-8,10-14,30H,3-5,9,15-18H2,1-2H3,(H,25,29)(H,26,28);(H3,1,2,3,4)/b20-11+;

HIDE SMILES / InChI

Molecular Formula H3O4P
Molecular Weight 97.9952
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C24H33N3O4
Molecular Weight 427.5365
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 16:13:53 UTC 2023
Edited
by admin
on Sat Dec 16 16:13:53 UTC 2023
Record UNII
QA3Y8EZG57
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
IVALTINOSTAT PHOSPHATE
Common Name English
2-OCTENEDIAMIDE, N1-(3-(DIMETHYLAMINO)PROPYL)-N8-HYDROXY-2-((1-NAPHTHALENYLOXY)METHYL)-, (2E)-, PHOSPHATE (1:1)
Systematic Name English
CG-745
Code English
(E)-N1-(3-(DIMETHYLAMINO)PROPYL)-N8-HYDROXY-2-((NAPHTHALEN-1-YLOXY)METHYL)OCT-2-ENEDIAMIDE PHOSPHATE
Systematic Name English
Classification Tree Code System Code
FDA ORPHAN DRUG 699019
Created by admin on Sat Dec 16 16:13:53 UTC 2023 , Edited by admin on Sat Dec 16 16:13:53 UTC 2023
Code System Code Type Description
FDA UNII
QA3Y8EZG57
Created by admin on Sat Dec 16 16:13:53 UTC 2023 , Edited by admin on Sat Dec 16 16:13:53 UTC 2023
PRIMARY
PUBCHEM
146048056
Created by admin on Sat Dec 16 16:13:53 UTC 2023 , Edited by admin on Sat Dec 16 16:13:53 UTC 2023
PRIMARY
CAS
2173017-02-0
Created by admin on Sat Dec 16 16:13:53 UTC 2023 , Edited by admin on Sat Dec 16 16:13:53 UTC 2023
PRIMARY
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