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Details

Stereochemistry ABSOLUTE
Molecular Formula C31H43NO10
Molecular Weight 589.6738
Optical Activity UNSPECIFIED
Defined Stereocenters 12 / 12
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of NORBUPRENORPHINE 3-GLUCURONIDE

SMILES

[H][C@@]12OC3=C4C(C[C@H]5NCC[C@@]14[C@@]56CC[C@@]2(OC)[C@]([H])(C6)[C@](C)(O)C(C)(C)C)=CC=C3O[C@@H]7O[C@@H]([C@@H](O)[C@H](O)[C@H]7O)C(O)=O

InChI

InChIKey=OOLGGESLZHGXGC-TXYLTYGDSA-N
InChI=1S/C31H43NO10/c1-27(2,3)28(4,38)16-13-29-8-9-31(16,39-5)26-30(29)10-11-32-17(29)12-14-6-7-15(22(42-26)18(14)30)40-25-21(35)19(33)20(34)23(41-25)24(36)37/h6-7,16-17,19-21,23,25-26,32-35,38H,8-13H2,1-5H3,(H,36,37)/t16-,17-,19+,20+,21-,23+,25-,26-,28+,29-,30+,31-/m1/s1

HIDE SMILES / InChI

Molecular Formula C31H43NO10
Molecular Weight 589.6738
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 12 / 12
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 09:04:30 UTC 2023
Edited
by admin
on Sat Dec 16 09:04:30 UTC 2023
Record UNII
YPZ2R0PR50
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
NORBUPRENORPHINE 3-GLUCURONIDE
Common Name English
NORBUPRENORPHINE GLUCURONIDE
Common Name English
NORBUPRENORPHINE 3-.BETA.-D-GLUCURONIDE
Common Name English
.BETA.-D-GLUCOPYRANOSIDURONIC ACID, (5.ALPHA.,7.ALPHA.)-4,5-EPOXY-18,19-DIHYDRO-7-((1S)-1-HYDROXY-1,2,2-TRIMETHYLPROPYL)-6-METHOXY-6,14-ETHENOMORPHINAN-3-YL
Systematic Name English
Code System Code Type Description
WIKIPEDIA
Norbuprenorphine-3-glucuronide
Created by admin on Sat Dec 16 09:04:30 UTC 2023 , Edited by admin on Sat Dec 16 09:04:30 UTC 2023
PRIMARY
PUBCHEM
91800110
Created by admin on Sat Dec 16 09:04:30 UTC 2023 , Edited by admin on Sat Dec 16 09:04:30 UTC 2023
PRIMARY
FDA UNII
YPZ2R0PR50
Created by admin on Sat Dec 16 09:04:30 UTC 2023 , Edited by admin on Sat Dec 16 09:04:30 UTC 2023
PRIMARY
EPA CompTox
DTXSID401023512
Created by admin on Sat Dec 16 09:04:30 UTC 2023 , Edited by admin on Sat Dec 16 09:04:30 UTC 2023
PRIMARY
CAS
469887-29-4
Created by admin on Sat Dec 16 09:04:30 UTC 2023 , Edited by admin on Sat Dec 16 09:04:30 UTC 2023
PRIMARY
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