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Details

Stereochemistry ABSOLUTE
Molecular Formula C15H19NO4
Molecular Weight 277.3157
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2-(2-HYDROXY-6-((1R,2R)-2-(PROPIONAMIDOMETHYL)CYCLOPROPYL)PHENYL)ACETIC ACID

SMILES

CCC(=O)NC[C@@H]1C[C@H]1C2=C(CC(O)=O)C(O)=CC=C2

InChI

InChIKey=QZWOFHCLMJBOSU-GXSJLCMTSA-N
InChI=1S/C15H19NO4/c1-2-14(18)16-8-9-6-11(9)10-4-3-5-13(17)12(10)7-15(19)20/h3-5,9,11,17H,2,6-8H2,1H3,(H,16,18)(H,19,20)/t9-,11+/m0/s1

HIDE SMILES / InChI

Molecular Formula C15H19NO4
Molecular Weight 277.3157
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 Dec 16 09:23:45 GMT 2023
Edited
by admin
on Sat Dec 16 09:23:45 GMT 2023
Record UNII
UH8466QZ6U
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2-(2-HYDROXY-6-((1R,2R)-2-(PROPIONAMIDOMETHYL)CYCLOPROPYL)PHENYL)ACETIC ACID
Systematic Name English
TASIMELTEON METABOLITE M9
Common Name English
BENZENEACETIC ACID, 2-HYDROXY-6-((1R,2R)-2-(((1-OXOPROPYL)AMINO)METHYL)CYCLOPROPYL)-
Common Name English
Code System Code Type Description
FDA UNII
UH8466QZ6U
Created by admin on Sat Dec 16 09:23:45 GMT 2023 , Edited by admin on Sat Dec 16 09:23:45 GMT 2023
PRIMARY
CAS
1448344-06-6
Created by admin on Sat Dec 16 09:23:45 GMT 2023 , Edited by admin on Sat Dec 16 09:23:45 GMT 2023
PRIMARY
PUBCHEM
72188561
Created by admin on Sat Dec 16 09:23:45 GMT 2023 , Edited by admin on Sat Dec 16 09:23:45 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> METABOLITE INACTIVE
MAJOR
PARENT -> METABOLITE