NELONICLINE N-GLUCURONIDE

Details

Stereochemistry	MIXED
Molecular Formula	C23H27N3O7S
Molecular Weight	489.541
Optical Activity	UNSPECIFIED
Defined Stereocenters	10 / 10
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[H][C@]1(O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)C([O-])=O)[N@@+]23C[C@H]4C[C@@H](C2)[C@H](OC5=NN=C(S5)C6=CC=CC=C6)[C@H](C4)C3

InChI

InChIKey=HURSDZYTLRWJGT-SBJZPAQGSA-N

InChI=1S/C23H27N3O7S/c27-15-16(28)19(22(30)31)32-21(17(15)29)26-8-11-6-13(9-26)18(14(7-11)10-26)33-23-25-24-20(34-23)12-4-2-1-3-5-12/h1-5,11,13-19,21,27-29H,6-10H2/t11-,13-,14+,15-,16-,17+,18-,19-,21+,26-/m0/s1

HIDE SMILES / InChI

Approval Year

Name

Type

Language

NELONICLINE N-GLUCURONIDE

Common Name

English

(2S,3S,4S,5R,6S)-3,4,5-TRIHYDROXY-6-((1S,3R,4R,5S,7R)-4-((5-PHENYL-1,3,4- THIADIAZOL-2-YL)OXY)-1-AZAADAMANTAN-1-IUM-1-YL)TETRAHYDRO-2H-PYRAN-2-CARBOXYLATE

Systematic Name

English

ABT-126 METABOLITE M11

Common Name

English

Code System Code Type Description

CAS

2383038-48-8

Created by admin on Sat Dec 16 17:30:40 GMT 2023 , Edited by admin on Sat Dec 16 17:30:40 GMT 2023

PRIMARY

FDA UNII

E4USX946EY