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

Details

Stereochemistry ACHIRAL
Molecular Formula C9H15NO3
Molecular Weight 185.2203
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2,2-BIS(HYDROXYMETHYL)-1-AZABICYCLO(2,2,2,)OCTAN-3-ONE

SMILES

OCC1(CO)N2CCC(CC2)C1=O

InChI

InChIKey=RFBVBRVVOPAAFS-UHFFFAOYSA-N
InChI=1S/C9H15NO3/c11-5-9(6-12)8(13)7-1-3-10(9)4-2-7/h7,11-12H,1-6H2

HIDE SMILES / InChI

Molecular Formula C9H15NO3
Molecular Weight 185.2203
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Fri Dec 15 19:40:39 UTC 2023
Edited
by admin
on Fri Dec 15 19:40:39 UTC 2023
Record UNII
GHC34M30BG
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2,2-BIS(HYDROXYMETHYL)-1-AZABICYCLO(2,2,2,)OCTAN-3-ONE
Common Name English
NSC-281668
Code English
2,2-BIS(HYDROXYMETHYL)-1-AZABICYCLO(2.2.2)OCTAN-3-ONE
Systematic Name English
3-QUINUCLIDINONE, 2,2-BIS(HYDROXYMETHYL)-
Systematic Name English
PRIMA-1
Code English
1-AZABICYCLO(2.2.2)OCTAN-3-ONE, 2,2-BIS(HYDROXYMETHYL)-
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID50204637
Created by admin on Fri Dec 15 19:40:39 UTC 2023 , Edited by admin on Fri Dec 15 19:40:39 UTC 2023
PRIMARY
FDA UNII
GHC34M30BG
Created by admin on Fri Dec 15 19:40:39 UTC 2023 , Edited by admin on Fri Dec 15 19:40:39 UTC 2023
PRIMARY
PUBCHEM
322968
Created by admin on Fri Dec 15 19:40:39 UTC 2023 , Edited by admin on Fri Dec 15 19:40:39 UTC 2023
PRIMARY
CAS
5608-24-2
Created by admin on Fri Dec 15 19:40:39 UTC 2023 , Edited by admin on Fri Dec 15 19:40:39 UTC 2023
PRIMARY
NSC
281668
Created by admin on Fri Dec 15 19:40:39 UTC 2023 , Edited by admin on Fri Dec 15 19:40:39 UTC 2023
PRIMARY
Related Record Type Details
TARGET -> INHIBITOR
BINDING
Related Record Type Details
ACTIVE MOIETY