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Details

Stereochemistry MIXED
Molecular Formula C23H27N3O8S
Molecular Weight 505.541
Optical Activity UNSPECIFIED
Defined Stereocenters 10 / 10
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of NELONICLINE N-OXIDE GLUCURONIDE

SMILES

[H][C@@]6(O[N@@+]12C[C@H]3C[C@@H](C1)[C@H](OC4=NN=C(S4)C5=CC=CC=C5)[C@H](C3)C2)O[C@@H]([C@@H](O)[C@H](O)[C@H]6O)C([O-])=O

InChI

InChIKey=BGNLWJVUWMCRKV-IMFQVPEJSA-N
InChI=1S/C23H27N3O8S/c27-15-16(28)19(21(30)31)32-22(17(15)29)34-26-8-11-6-13(9-26)18(14(7-11)10-26)33-23-25-24-20(35-23)12-4-2-1-3-5-12/h1-5,11,13-19,22,27-29H,6-10H2/t11-,13-,14+,15-,16-,17+,18-,19-,22-,26-/m0/s1

HIDE SMILES / InChI

Molecular Formula C23H27N3O8S
Molecular Weight 505.541
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 10 / 10
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 17:30:04 GMT 2023
Edited
by admin
on Sat Dec 16 17:30:04 GMT 2023
Record UNII
6F596KU73T
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
NELONICLINE N-OXIDE GLUCURONIDE
Common Name English
NELONICLINE N-GLUCURONIDE METABOLITE
Common Name English
ABT-126 METABOLITE M16
Common Name English
Code System Code Type Description
CAS
2383038-50-2
Created by admin on Sat Dec 16 17:30:04 GMT 2023 , Edited by admin on Sat Dec 16 17:30:04 GMT 2023
PRIMARY
FDA UNII
6F596KU73T
Created by admin on Sat Dec 16 17:30:04 GMT 2023 , Edited by admin on Sat Dec 16 17:30:04 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> METABOLITE
URINE