U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ABSOLUTE
Molecular Formula C16H16N4O.ClH
Molecular Weight 316.785
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Y-39983

SMILES

Cl.C[C@@H](N)C1=CC=C(C=C1)C(=O)NC2=C3C=CNC3=NC=C2

InChI

InChIKey=IILQESWQPZIAGP-HNCPQSOCSA-N
InChI=1S/C16H16N4O.ClH/c1-10(17)11-2-4-12(5-3-11)16(21)20-14-7-9-19-15-13(14)6-8-18-15;/h2-10H,17H2,1H3,(H2,18,19,20,21);1H/t10-;/m1./s1

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 C16H16N4O
Molecular Weight 280.3244
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 Fri Dec 15 16:23:31 UTC 2023
Edited
by admin
on Fri Dec 15 16:23:31 UTC 2023
Record UNII
3304VH0J6B
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Y-39983
Common Name English
BENZAMIDE, 4-((1R)-1-AMINOETHYL)-N-1H-PYRROLO(2,3-B)PYRIDIN-4-YL-, HYDROCHLORIDE (1:1)
Systematic Name English
Code System Code Type Description
ChEMBL
CHEMBL571948
Created by admin on Fri Dec 15 16:23:31 UTC 2023 , Edited by admin on Fri Dec 15 16:23:31 UTC 2023
PRIMARY
CAS
594859-54-8
Created by admin on Fri Dec 15 16:23:31 UTC 2023 , Edited by admin on Fri Dec 15 16:23:31 UTC 2023
NO STRUCTURE GIVEN
PUBCHEM
11507964
Created by admin on Fri Dec 15 16:23:31 UTC 2023 , Edited by admin on Fri Dec 15 16:23:31 UTC 2023
PRIMARY
CAS
471843-75-1
Created by admin on Fri Dec 15 16:23:31 UTC 2023 , Edited by admin on Fri Dec 15 16:23:31 UTC 2023
PRIMARY
FDA UNII
3304VH0J6B
Created by admin on Fri Dec 15 16:23:31 UTC 2023 , Edited by admin on Fri Dec 15 16:23:31 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE
Related Record Type Details
ACTIVE MOIETY