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Details

Stereochemistry ABSOLUTE
Molecular Formula C23H29NO10
Molecular Weight 479.4771
Optical Activity UNSPECIFIED
Defined Stereocenters 11 / 11
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of SCOPOLAMINE GLUCURONIDE

SMILES

[H][C@@]12O[C@]1([H])[C@H]3C[C@H](C[C@@H]2N3C)OC(=O)[C@H](CO[C@@H]4O[C@@H]([C@@H](O)[C@H](O)[C@H]4O)C(O)=O)C5=CC=CC=C5

InChI

InChIKey=NIZFCRZRBBERQF-STJJODSKSA-N
InChI=1S/C23H29NO10/c1-24-13-7-11(8-14(24)19-18(13)33-19)32-22(30)12(10-5-3-2-4-6-10)9-31-23-17(27)15(25)16(26)20(34-23)21(28)29/h2-6,11-20,23,25-27H,7-9H2,1H3,(H,28,29)/t11-,12-,13-,14+,15+,16+,17-,18-,19+,20+,23-/m1/s1

HIDE SMILES / InChI

Molecular Formula C23H29NO10
Molecular Weight 479.4771
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 11 / 11
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 18:50:27 UTC 2023
Edited
by admin
on Sat Dec 16 18:50:27 UTC 2023
Record UNII
FG68X42Y7H
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
SCOPOLAMINE GLUCURONIDE
Common Name English
(-)-SCOPOLAMINE 9'-GLUCURONIDE
Common Name English
.BETA.-D-GLUCOPYRANOSIDURONIC ACID, (2S)-3-(((1.ALPHA.,2.BETA.,4.BETA.,5.ALPHA.,7.BETA.)-9-METHYL-3-OXA-9-AZATRICYCLO(3.3.1.02,4)NON-7-YL)OXY)-3-OXO-2-PHENYLPROPYL
Systematic Name English
SCOPOLAMINE O-.BETA.-D-GLUCURONIDE
Common Name English
Code System Code Type Description
CAS
17660-02-5
Created by admin on Sat Dec 16 18:50:27 UTC 2023 , Edited by admin on Sat Dec 16 18:50:27 UTC 2023
PRIMARY
FDA UNII
FG68X42Y7H
Created by admin on Sat Dec 16 18:50:27 UTC 2023 , Edited by admin on Sat Dec 16 18:50:27 UTC 2023
PRIMARY
Related Record Type Details
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