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Details

Stereochemistry EPIMERIC
Molecular Formula C22H33NO8
Molecular Weight 439.5002
Optical Activity UNSPECIFIED
Defined Stereocenters 5 / 6
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of DESVENLAFAXINE-O-GLUCURONIDE

SMILES

CN(C)CC([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=GRDOISGIGBUYGA-NMXLZWJASA-N
InChI=1S/C22H33NO8/c1-23(2)12-15(22(29)10-4-3-5-11-22)13-6-8-14(9-7-13)30-21-18(26)16(24)17(25)19(31-21)20(27)28/h6-9,15-19,21,24-26,29H,3-5,10-12H2,1-2H3,(H,27,28)/t15?,16-,17-,18+,19-,21+/m0/s1

HIDE SMILES / InChI

Molecular Formula C22H33NO8
Molecular Weight 439.5002
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 12:31:01 UTC 2021
Edited
by admin
on Sat Jun 26 12:31:01 UTC 2021
Record UNII
68PDXVEFMN
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
DESVENLAFAXINE-O-GLUCURONIDE
Common Name English
.BETA.-D-GLUCOPYRANOSIDURONIC ACID, 4-(2-(DIMETHYLAMINO)-1-(1-HYDROXYCYCLOHEXYL)ETHYL)PHENYL
Common Name English
O-DESMETHYLVENLAFAXINE-GLUCURONIDE
Common Name English
Code System Code Type Description
CAS
1021933-98-1
Created by admin on Sat Jun 26 12:31:01 UTC 2021 , Edited by admin on Sat Jun 26 12:31:01 UTC 2021
PRIMARY
PUBCHEM
71315801
Created by admin on Sat Jun 26 12:31:01 UTC 2021 , Edited by admin on Sat Jun 26 12:31:01 UTC 2021
PRIMARY
FDA UNII
68PDXVEFMN
Created by admin on Sat Jun 26 12:31:01 UTC 2021 , Edited by admin on Sat Jun 26 12:31:01 UTC 2021
PRIMARY
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