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Details

Stereochemistry EPIMERIC
Molecular Formula C21H31NO8
Molecular Weight 425.4736
Optical Activity UNSPECIFIED
Defined Stereocenters 5 / 6
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of N,O-DIDESMETHYLVENLAFAXINE-GLUCURONIDE

SMILES

CNCC([H])(c1ccc(cc1)O[C@@]2([H])[C@@]([H])([C@]([H])([C@@]([H])([C@@]([H])(C(=O)O)O2)O)O)O)C3(CCCCC3)O

InChI

InChIKey=UDNAJOOLWIWCAW-SQBZNDFJSA-N
InChI=1S/C21H31NO8/c1-22-11-14(21(28)9-3-2-4-10-21)12-5-7-13(8-6-12)29-20-17(25)15(23)16(24)18(30-20)19(26)27/h5-8,14-18,20,22-25,28H,2-4,9-11H2,1H3,(H,26,27)/t14?,15-,16-,17+,18-,20+/m0/s1

HIDE SMILES / InChI

Molecular Formula C21H31NO8
Molecular Weight 425.4736
Charge 0
Count
Stereochemistry EPIMERIC
Additional Stereochemistry No
Defined Stereocenters 5 / 6
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Jun 26 02:35:45 UTC 2021
Edited
by admin
on Sat Jun 26 02:35:45 UTC 2021
Record UNII
1H23L3816Q
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
N,O-DIDESMETHYLVENLAFAXINE-GLUCURONIDE
Common Name English
.BETA.-D-GLUCOPYRANOSIDURONIC ACID, 4-(1-(1-HYDROXYCYCLOHEXYL)-2-(METHYLAMINO)ETHYL)PHENYL
Common Name English
N,O-DIDESMETHYLVENLAFAXINE O-GLUCURONIDE
Common Name English
Code System Code Type Description
CAS
1021933-99-2
Created by admin on Sat Jun 26 02:35:45 UTC 2021 , Edited by admin on Sat Jun 26 02:35:45 UTC 2021
PRIMARY
FDA UNII
1H23L3816Q
Created by admin on Sat Jun 26 02:35:45 UTC 2021 , Edited by admin on Sat Jun 26 02:35:45 UTC 2021
PRIMARY
PUBCHEM
71316036
Created by admin on Sat Jun 26 02:35:45 UTC 2021 , Edited by admin on Sat Jun 26 02:35:45 UTC 2021
PRIMARY
Related Record Type Details
PARENT -> METABOLITE INACTIVE
Unit: percent of dose in urine
IN-VIVO
URINE
PARENT -> METABOLITE INACTIVE
<5% (NODV and NODV-glucuronide combined); Unit: percent of amount administered
IN-VIVO
URINE