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

Details

Stereochemistry ACHIRAL
Molecular Formula C14H13NO
Molecular Weight 211.2591
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of PHENYL(2,3-DIHYDRO-1H-PYRROLIZIN-5-YL)METHANONE

SMILES

O=C(C1=CC=C2CCCN12)C3=CC=CC=C3

InChI

InChIKey=DHUITNLXEMJSMU-UHFFFAOYSA-N
InChI=1S/C14H13NO/c16-14(11-5-2-1-3-6-11)13-9-8-12-7-4-10-15(12)13/h1-3,5-6,8-9H,4,7,10H2

HIDE SMILES / InChI

Molecular Formula C14H13NO
Molecular Weight 211.2591
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 15:45:42 UTC 2023
Edited
by admin
on Fri Dec 15 15:45:42 UTC 2023
Record UNII
9C0MT6TTH9
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
PHENYL(2,3-DIHYDRO-1H-PYRROLIZIN-5-YL)METHANONE
Systematic Name English
KETOROLAC TROMETAMOL IMPURITY I [EP IMPURITY]
Common Name English
METHANONE, (2,3-DIHYDRO-1H-PYRROLIZIN-5-YL)PHENYL-
Systematic Name English
KETOROLAC RELATED COMPOUND D [USP IMPURITY]
Common Name English
KETOROLAC RELATED COMPOUND D [USP-RS]
Common Name English
KETOROLAC RELATED COMPOUND D
USP  
Common Name English
5-BENZOYL-2,3-DIHYDRO-1H-PYRROLIZINE
Systematic Name English
Code System Code Type Description
FDA UNII
9C0MT6TTH9
Created by admin on Fri Dec 15 15:45:42 UTC 2023 , Edited by admin on Fri Dec 15 15:45:42 UTC 2023
PRIMARY
PUBCHEM
71209516
Created by admin on Fri Dec 15 15:45:42 UTC 2023 , Edited by admin on Fri Dec 15 15:45:42 UTC 2023
PRIMARY
EPA CompTox
DTXSID20150430
Created by admin on Fri Dec 15 15:45:42 UTC 2023 , Edited by admin on Fri Dec 15 15:45:42 UTC 2023
PRIMARY
CAS
113502-55-9
Created by admin on Fri Dec 15 15:45:42 UTC 2023 , Edited by admin on Fri Dec 15 15:45:42 UTC 2023
PRIMARY
RS_ITEM_NUM
1356348
Created by admin on Fri Dec 15 15:45:42 UTC 2023 , Edited by admin on Fri Dec 15 15:45:42 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> IMPURITY
unspecified
UNKNOWN
EP