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Details

Stereochemistry ACHIRAL
Molecular Formula C11H10ClNO3
Molecular Weight 239.655
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of BP1.8054

SMILES

OC(=O)CNC(=O)\C=C\C1=CC=C(Cl)C=C1

InChI

InChIKey=ZEPXWXAJIBXPNT-ZZXKWVIFSA-N
InChI=1S/C11H10ClNO3/c12-9-4-1-8(2-5-9)3-6-10(14)13-7-11(15)16/h1-6H,7H2,(H,13,14)(H,15,16)/b6-3+

HIDE SMILES / InChI

Molecular Formula C11H10ClNO3
Molecular Weight 239.655
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 1
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 14:48:22 UTC 2023
Edited
by admin
on Sat Dec 16 14:48:22 UTC 2023
Record UNII
AF6Y70X2NM
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
BP1.8054
Common Name English
GLYCINE, N-((2E)-3-(4-CHLOROPHENYL)-1-OXO-2-PROPEN-1-YL)-
Systematic Name English
PITOLISANT METABOLITE BP1.8054
Common Name English
N-((2E)-3-(4-CHLOROPHENYL)-1-OXO-2-PROPEN-1-YL)GLYCINE
Systematic Name English
Code System Code Type Description
CAS
2307451-04-1
Created by admin on Sat Dec 16 14:48:22 UTC 2023 , Edited by admin on Sat Dec 16 14:48:22 UTC 2023
PRIMARY
FDA UNII
AF6Y70X2NM
Created by admin on Sat Dec 16 14:48:22 UTC 2023 , Edited by admin on Sat Dec 16 14:48:22 UTC 2023
PRIMARY
PUBCHEM
5813910
Created by admin on Sat Dec 16 14:48:22 UTC 2023 , Edited by admin on Sat Dec 16 14:48:22 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> METABOLITE INACTIVE
MAJOR
PLASMA