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

Details

Stereochemistry ABSOLUTE
Molecular Formula C10H15NO3
Molecular Weight 197.231
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of METANEPHRINE, (-)-

SMILES

CNC[C@H](O)C1=CC=C(O)C(OC)=C1

InChI

InChIKey=JWJCTZKFYGDABJ-VIFPVBQESA-N
InChI=1S/C10H15NO3/c1-11-6-9(13)7-3-4-8(12)10(5-7)14-2/h3-5,9,11-13H,6H2,1-2H3/t9-/m0/s1

HIDE SMILES / InChI

Molecular Formula C10H15NO3
Molecular Weight 197.231
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 09:04:49 UTC 2023
Edited
by admin
on Sat Dec 16 09:04:49 UTC 2023
Record UNII
17283JVN9V
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
METANEPHRINE, (-)-
Common Name English
3-O-METHYLADRENALINE
Systematic Name English
(-)-METANEPHRINE
Common Name English
BENZENEMETHANOL, 4-HYDROXY-3-METHOXY-.ALPHA.-((METHYLAMINO)METHYL)-, (-)-
Systematic Name English
VANILLYL ALCOHOL, .ALPHA.-((METHYLAMINO)METHYL)-, (-)-
Common Name English
Code System Code Type Description
EPA CompTox
DTXSID201021308
Created by admin on Sat Dec 16 09:04:49 UTC 2023 , Edited by admin on Sat Dec 16 09:04:49 UTC 2023
PRIMARY
CAS
2282-54-4
Created by admin on Sat Dec 16 09:04:49 UTC 2023 , Edited by admin on Sat Dec 16 09:04:49 UTC 2023
PRIMARY
PUBCHEM
688084
Created by admin on Sat Dec 16 09:04:49 UTC 2023 , Edited by admin on Sat Dec 16 09:04:49 UTC 2023
PRIMARY
FDA UNII
17283JVN9V
Created by admin on Sat Dec 16 09:04:49 UTC 2023 , Edited by admin on Sat Dec 16 09:04:49 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> METABOLITE INACTIVE
Unit: percent of tritium in the urine; See table 1 in the source document.
IN-VIVO
URINE