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Details

Stereochemistry ACHIRAL
Molecular Formula C16H17NO3
Molecular Weight 271.3117
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of IP-2018

SMILES

c1cc(cc2c1ccc(=O)o2)O[C@@]3([H])C[C@]4([H])CC[C@]([H])(C3)N4

InChI

InChIKey=PGUDASZQLOAZRX-DABQJJPHSA-N
InChI=1S/C16H17NO3/c18-16-6-2-10-1-5-13(9-15(10)20-16)19-14-7-11-3-4-12(8-14)17-11/h1-2,5-6,9,11-12,14,17H,3-4,7-8H2/t11-,12+,14-

HIDE SMILES / InChI

Molecular Formula C16H17NO3
Molecular Weight 271.3117
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 2 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Jun 26 05:56:20 UTC 2021
Edited
by admin
on Sat Jun 26 05:56:20 UTC 2021
Record UNII
60XT58V8NZ
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
IP-2018
Code English
2H-1-BENZOPYRAN-2-ONE, 7-((3-EXO)-8-AZABICYCLO(3.2.1)OCT-3-YLOXY)-
Systematic Name English
IP2018
Code English
7-((3-EXO)-8-AZABICYCLO(3.2.1)OCT-3-YLOXY)-2H-1-BENZOPYRAN-2-ONE
Systematic Name English
Code System Code Type Description
CAS
881387-68-4
Created by admin on Sat Jun 26 05:56:21 UTC 2021 , Edited by admin on Sat Jun 26 05:56:21 UTC 2021
PRIMARY
FDA UNII
60XT58V8NZ
Created by admin on Sat Jun 26 05:56:21 UTC 2021 , Edited by admin on Sat Jun 26 05:56:21 UTC 2021
PRIMARY
Related Record Type Details
SALT/SOLVATE -> PARENT
TARGET -> INHIBITOR
Related Record Type Details
ACTIVE MOIETY