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

Details

Stereochemistry ABSOLUTE
Molecular Formula C10H15NO2
Molecular Weight 181.2316
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ETILEFRINE, (R)-

SMILES

CCNC[C@H](O)C1=CC=CC(O)=C1

InChI

InChIKey=SQVIAVUSQAWMKL-JTQLQIEISA-N
InChI=1S/C10H15NO2/c1-2-11-7-10(13)8-4-3-5-9(12)6-8/h3-6,10-13H,2,7H2,1H3/t10-/m0/s1

HIDE SMILES / InChI

Molecular Formula C10H15NO2
Molecular Weight 181.2316
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 09:55:23 GMT 2023
Edited
by admin
on Sat Dec 16 09:55:23 GMT 2023
Record UNII
D9741C38XI
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ETILEFRINE, (R)-
Common Name English
BENZENEMETHANOL, .ALPHA.-((ETHYLAMINO)METHYL)-3-HYDROXY-, (.ALPHA.R)-
Systematic Name English
BENZENEMETHANOL, .ALPHA.-((ETHYLAMINO)METHYL)-3-HYDROXY-, (R)-
Systematic Name English
Code System Code Type Description
FDA UNII
D9741C38XI
Created by admin on Sat Dec 16 09:55:23 GMT 2023 , Edited by admin on Sat Dec 16 09:55:23 GMT 2023
PRIMARY
PUBCHEM
1715117
Created by admin on Sat Dec 16 09:55:23 GMT 2023 , Edited by admin on Sat Dec 16 09:55:23 GMT 2023
PRIMARY
CAS
2259-99-6
Created by admin on Sat Dec 16 09:55:23 GMT 2023 , Edited by admin on Sat Dec 16 09:55:23 GMT 2023
PRIMARY
Related Record Type Details
RACEMATE -> ENANTIOMER