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Details

Stereochemistry ABSOLUTE
Molecular Formula C16H21N3O3S
Molecular Weight 335.421
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 1-Hydroxy-BA-1049, (R)-

SMILES

C[C@@H](N)C1CCN(CC1)S(=O)(=O)C2=CC=CC3=C2C=CNC3=O

InChI

InChIKey=OHJBYPWWCFTEPA-LLVKDONJSA-N
InChI=1S/C16H21N3O3S/c1-11(17)12-6-9-19(10-7-12)23(21,22)15-4-2-3-14-13(15)5-8-18-16(14)20/h2-5,8,11-12H,6-7,9-10,17H2,1H3,(H,18,20)/t11-/m1/s1

HIDE SMILES / InChI

Molecular Formula C16H21N3O3S
Molecular Weight 335.421
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 19:15:48 GMT 2023
Edited
by admin
on Sat Dec 16 19:15:48 GMT 2023
Record UNII
E9P7TP6LRJ
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
1-Hydroxy-BA-1049, (R)-
Code English
5-[[4-[(1R)-1-Aminoethyl]-1-piperidinyl]sulfonyl]-1(2H)-isoquinolinone
Common Name English
1(2H)-Isoquinolinone, 5-[[4-[(1R)-1-aminoethyl]-1-piperidinyl]sulfonyl]-
Systematic Name English
Code System Code Type Description
FDA UNII
E9P7TP6LRJ
Created by admin on Sat Dec 16 19:15:48 GMT 2023 , Edited by admin on Sat Dec 16 19:15:48 GMT 2023
PRIMARY
CAS
2143116-61-2
Created by admin on Sat Dec 16 19:15:48 GMT 2023 , Edited by admin on Sat Dec 16 19:15:48 GMT 2023
PRIMARY
PUBCHEM
132080872
Created by admin on Sat Dec 16 19:15:48 GMT 2023 , Edited by admin on Sat Dec 16 19:15:48 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> METABOLITE ACTIVE