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

Details

Stereochemistry ABSOLUTE
Molecular Formula C11H14ClNO3
Molecular Weight 243.687
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2-(4-(3-CHLORO-2-HYDROXYPROPOXY)PHENYL)ACETAMIDE, (2S)-

SMILES

NC(=O)CC1=CC=C(OC[C@H](O)CCl)C=C1

InChI

InChIKey=OQFMSHFNOSFLJU-SECBINFHSA-N
InChI=1S/C11H14ClNO3/c12-6-9(14)7-16-10-3-1-8(2-4-10)5-11(13)15/h1-4,9,14H,5-7H2,(H2,13,15)/t9-/m1/s1

HIDE SMILES / InChI

Molecular Formula C11H14ClNO3
Molecular Weight 243.687
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 14:32:17 GMT 2023
Edited
by admin
on Sat Dec 16 14:32:17 GMT 2023
Record UNII
3VR32ST8BY
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2-(4-(3-CHLORO-2-HYDROXYPROPOXY)PHENYL)ACETAMIDE, (2S)-
Systematic Name English
BENZENEACETAMIDE, 4-(3-CHLORO-2-HYDROXYPROPOXY)-, (S)-
Systematic Name English
2-(4-((2S)-3-CHLORO-2-HYDROXYPROPOXY)PHENYL)ACETAMIDE
Systematic Name English
Code System Code Type Description
CAS
136259-71-7
Created by admin on Sat Dec 16 14:32:17 GMT 2023 , Edited by admin on Sat Dec 16 14:32:17 GMT 2023
PRIMARY
FDA UNII
3VR32ST8BY
Created by admin on Sat Dec 16 14:32:17 GMT 2023 , Edited by admin on Sat Dec 16 14:32:17 GMT 2023
PRIMARY
PUBCHEM
676975
Created by admin on Sat Dec 16 14:32:17 GMT 2023 , Edited by admin on Sat Dec 16 14:32:17 GMT 2023
PRIMARY
Related Record Type Details
RACEMATE -> ENANTIOMER