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Details

Stereochemistry ABSOLUTE
Molecular Formula C16H23NO9
Molecular Weight 373.3558
Optical Activity UNSPECIFIED
Defined Stereocenters 6 / 6
E/Z Centers 0
Charge 0

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

SMILES

CNC[C@@]([H])(c1ccc(c(c1)OC)O[C@@]2([H])[C@@]([H])([C@]([H])([C@@]([H])([C@@]([H])(C(=O)O)O2)O)O)O)O

InChI

InChIKey=WNTSVIRPPFTZJT-JEPUPVKNSA-N
InChI=1S/C16H23NO9/c1-17-6-8(18)7-3-4-9(10(5-7)24-2)25-16-13(21)11(19)12(20)14(26-16)15(22)23/h3-5,8,11-14,16-21H,6H2,1-2H3,(H,22,23)/t8-,11-,12-,13+,14-,16+/m0/s1

HIDE SMILES / InChI

Molecular Formula C16H23NO9
Molecular Weight 373.3558
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 6 / 6
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Jun 26 00:45:27 UTC 2021
Edited
by admin
on Sat Jun 26 00:45:27 UTC 2021
Record UNII
MB64VJD727
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
METANEPHRINE GLUCURONIDE, (-)-
Common Name English
(-)-METANEPHRINE GLUCURONIDE
Common Name English
(2S,3S,4S,5R,6S)-3,4,5-TRIHYDROXY-6-(4-((R)-1-HYDROXY-2-(METHYLAMINO)ETHYL)-2-METHOXYPHENOXY)TETRAHYDRO-2H-PYRAN-2-CARBOXYLIC ACID
Systematic Name English
Code System Code Type Description
PUBCHEM
76971619
Created by admin on Sat Jun 26 00:45:27 UTC 2021 , Edited by admin on Sat Jun 26 00:45:27 UTC 2021
PRIMARY
FDA UNII
MB64VJD727
Created by admin on Sat Jun 26 00:45:27 UTC 2021 , Edited by admin on Sat Jun 26 00:45:27 UTC 2021
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