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Details

Stereochemistry ABSOLUTE
Molecular Formula C19H19N3O2
Molecular Weight 321.3731
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of AR-13503

SMILES

NC[C@@H](C(=O)NC1=CC2=C(C=C1)C=NC=C2)C3=CC=C(CO)C=C3

InChI

InChIKey=LTXBFJFJUIJOQE-GOSISDBHSA-N
InChI=1S/C19H19N3O2/c20-10-18(14-3-1-13(12-23)2-4-14)19(24)22-17-6-5-16-11-21-8-7-15(16)9-17/h1-9,11,18,23H,10,12,20H2,(H,22,24)/t18-/m1/s1

HIDE SMILES / InChI

Molecular Formula C19H19N3O2
Molecular Weight 321.3731
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 14:07:31 UTC 2023
Edited
by admin
on Sat Dec 16 14:07:31 UTC 2023
Record UNII
4MVW7F3BCT
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
AR-13503
Code English
NETARSUDIL METABOLITE AR-13503
Common Name English
BENZENEACETAMIDE, .ALPHA.-(AMINOMETHYL)-4-(HYDROXYMETHYL)-N-6-ISOQUINOLINYL-, (S)-
Systematic Name English
Code System Code Type Description
CAS
1254032-16-0
Created by admin on Sat Dec 16 14:07:32 UTC 2023 , Edited by admin on Sat Dec 16 14:07:32 UTC 2023
NON-SPECIFIC STEREOCHEMISTRY
FDA UNII
4MVW7F3BCT
Created by admin on Sat Dec 16 14:07:32 UTC 2023 , Edited by admin on Sat Dec 16 14:07:32 UTC 2023
PRIMARY
PUBCHEM
134128281
Created by admin on Sat Dec 16 14:07:32 UTC 2023 , Edited by admin on Sat Dec 16 14:07:32 UTC 2023
PRIMARY
Related Record Type Details
TARGET -> INHIBITOR
Ki
BINDER->LIGAND
BINDING
TARGET -> INHIBITOR
Ki
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PARENT -> METABOLITE ACTIVE
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ACTIVE MOIETY