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Details

Stereochemistry ACHIRAL
Molecular Formula C20H29N3O2
Molecular Weight 343.4632
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of 2-PROPENOIC ACID, 3-(2-BUTYL-1-(2-(DIETHYLAMINO)ETHYL)-1H-BENZIMIDAZOL-5-YL)-, (2E)-

SMILES

CCCCC1=NC2=CC(\C=C\C(O)=O)=CC=C2N1CCN(CC)CC

InChI

InChIKey=AYEMVWVUTHCPRO-ZRDIBKRKSA-N
InChI=1S/C20H29N3O2/c1-4-7-8-19-21-17-15-16(10-12-20(24)25)9-11-18(17)23(19)14-13-22(5-2)6-3/h9-12,15H,4-8,13-14H2,1-3H3,(H,24,25)/b12-10+

HIDE SMILES / InChI

Molecular Formula C20H29N3O2
Molecular Weight 343.4632
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 Thu Jul 06 22:04:25 UTC 2023
Edited
by admin
on Thu Jul 06 22:04:25 UTC 2023
Record UNII
APT88E0NAJ
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2-PROPENOIC ACID, 3-(2-BUTYL-1-(2-(DIETHYLAMINO)ETHYL)-1H-BENZIMIDAZOL-5-YL)-, (2E)-
Systematic Name English
PRACINOSTAT METABOLITE M8
Common Name English
Code System Code Type Description
FDA UNII
APT88E0NAJ
Created by admin on Thu Jul 06 22:04:26 UTC 2023 , Edited by admin on Thu Jul 06 22:04:26 UTC 2023
PRIMARY
CAS
1393644-57-9
Created by admin on Thu Jul 06 22:04:26 UTC 2023 , Edited by admin on Thu Jul 06 22:04:26 UTC 2023
PRIMARY
PUBCHEM
68590693
Created by admin on Thu Jul 06 22:04:26 UTC 2023 , Edited by admin on Thu Jul 06 22:04:26 UTC 2023
PRIMARY
Related Record Type Details
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