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Details

Stereochemistry ACHIRAL
Molecular Formula C21H22N2O2
Molecular Weight 334.4116
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of AFN-835

SMILES

CC1=C(CCNCC2=CC=C(\C=C\C(O)=O)C=C2)C3=C(N1)C=CC=C3

InChI

InChIKey=XVXVAVCOKYEXMZ-ZHACJKMWSA-N
InChI=1S/C21H22N2O2/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(24)25/h2-11,22-23H,12-14H2,1H3,(H,24,25)/b11-10+

HIDE SMILES / InChI

Molecular Formula C21H22N2O2
Molecular Weight 334.4116
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 Fri Jul 07 00:02:12 UTC 2023
Edited
by admin
on Fri Jul 07 00:02:12 UTC 2023
Record UNII
6JBG8WNA2J
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
AFN-835
Code English
AFN835
Code English
2-PROPENOIC ACID, 3-(4-(((2-(2-METHYL-1H-INDOL-3-YL)ETHYL)AMINO)METHYL)PHENYL)-, (2E)-
Systematic Name English
(E)-3-(4-(((2-(2-METHYL-1H-INDOL-3-YL)ETHYL)AMINO)METHYL)PHENYL)ACRYLIC ACID
Systematic Name English
(2E)-3-(4-(((2-(2-METHYL-1H-INDOL-3-YL)ETHYL)AMINO)METHYL)PHENYL)-2-PROPENOIC ACID
Systematic Name English
PANOBINOSTAT METABOLITE M43.5
Common Name English
Code System Code Type Description
CAS
960058-93-9
Created by admin on Fri Jul 07 00:02:12 UTC 2023 , Edited by admin on Fri Jul 07 00:02:12 UTC 2023
PRIMARY
PUBCHEM
22051600
Created by admin on Fri Jul 07 00:02:12 UTC 2023 , Edited by admin on Fri Jul 07 00:02:12 UTC 2023
PRIMARY
FDA UNII
6JBG8WNA2J
Created by admin on Fri Jul 07 00:02:12 UTC 2023 , Edited by admin on Fri Jul 07 00:02:12 UTC 2023
PRIMARY
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