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

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

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

Molecular Formula	C23H27N3O7S
Molecular Weight	489.541
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 `Wed Apr 02 09:15:03 GMT 2025` Edited by `admin` on `Wed Apr 02 09:15:03 GMT 2025`
Record UNII	E4USX946EY
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

NELONICLINE N-GLUCURONIDE

Common Name

English

ABT-126 METABOLITE M11

Preferred 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

Code System Code Type Description

CAS

2383038-48-8

Created by admin on Wed Apr 02 09:15:03 GMT 2025 , Edited by admin on Wed Apr 02 09:15:03 GMT 2025

PRIMARY

FDA UNII

E4USX946EY

Created by admin on Wed Apr 02 09:15:03 GMT 2025 , Edited by admin on Wed Apr 02 09:15:03 GMT 2025

PRIMARY

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Name	Property Type	Amount	Referenced Substance	Defining	Parameters	References
Tmax	PHARMACOKINETIC				SINGLE ORAL DOSE