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Details

Stereochemistry ABSOLUTE
Molecular Formula C23H27NO10
Molecular Weight 477.4621
Optical Activity UNSPECIFIED
Defined Stereocenters 9 / 9
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of OXYMORPHONE 3-GLUCURONIDE

SMILES

CN1CC[C@@]23c4c5ccc(c4O[C@@]3([H])C(=O)CC[C@]2([C@@]1([H])C5)O)O[C@@]6([H])[C@@]([H])([C@]([H])([C@@]([H])([C@@]([H])(C(=O)O)O6)O)O)O

InChI

InChIKey=ILRLBQVIWURYLX-WUDROUKASA-N
InChI=1S/C23H27NO10/c1-24-7-6-22-13-9-2-3-11(32-21-16(28)14(26)15(27)18(34-21)20(29)30)17(13)33-19(22)10(25)4-5-23(22,31)12(24)8-9/h2-3,12,14-16,18-19,21,26-28,31H,4-8H2,1H3,(H,29,30)/t12-,14+,15+,16-,18+,19+,21-,22+,23-/m1/s1

HIDE SMILES / InChI

Molecular Formula C23H27NO10
Molecular Weight 477.4621
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 9 / 9
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Jun 26 11:05:31 UTC 2021
Edited
by admin
on Sat Jun 26 11:05:31 UTC 2021
Record UNII
CS1J30867C
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
OXYMORPHONE 3-GLUCURONIDE
Common Name English
.BETA.-D-GLUCOPYRANOSIDURONIC ACID, (5.ALPHA.)-4,5-EPOXY-14-HYDROXY-17-METHYL-6-OXOMORPHINAN-3-YL
Systematic Name English
Code System Code Type Description
EPA CompTox
770735-01-8
Created by admin on Sat Jun 26 11:05:31 UTC 2021 , Edited by admin on Sat Jun 26 11:05:31 UTC 2021
PRIMARY
PUBCHEM
91800215
Created by admin on Sat Jun 26 11:05:31 UTC 2021 , Edited by admin on Sat Jun 26 11:05:31 UTC 2021
PRIMARY
CAS
770735-01-8
Created by admin on Sat Jun 26 11:05:31 UTC 2021 , Edited by admin on Sat Jun 26 11:05:31 UTC 2021
PRIMARY
FDA UNII
CS1J30867C
Created by admin on Sat Jun 26 11:05:31 UTC 2021 , Edited by admin on Sat Jun 26 11:05:31 UTC 2021
PRIMARY
Related Record Type Details
PARENT -> METABOLITE
MAJOR
PLASMA