N-DESMETHYLASENAPINE N-CARBAMOYL GLUCURONIDE

Details

Stereochemistry	MIXED
Molecular Formula	C23H22ClNO9
Molecular Weight	491.875
Optical Activity	UNSPECIFIED
Defined Stereocenters	7 / 7
E/Z Centers	0
Charge	0
Stereo Comments	RELATIVE STEREO ON ASEPINE

SHOW SMILES / InChI

Structure of N-DESMETHYLASENAPINE N-CARBAMOYL GLUCURONIDE

Structure Search

SMILES

[H][C@]12CN(C[C@]1([H])C3=C(OC4=CC=C(Cl)C=C24)C=CC=C3)C(=O)O[C@@H]5O[C@@H]([C@@H](O)[C@H](O)[C@H]5O)C(O)=O

InChI

InChIKey=MONYWLCNIOIULX-IATOLCSKSA-N

InChI=1S/C23H22ClNO9/c24-10-5-6-16-12(7-10)14-9-25(8-13(14)11-3-1-2-4-15(11)32-16)23(31)34-22-19(28)17(26)18(27)20(33-22)21(29)30/h1-7,13-14,17-20,22,26-28H,8-9H2,(H,29,30)/t13-,14-,17+,18+,19-,20+,22+/m1/s1

HIDE SMILES / InChI

Molecular Formula	C23H22ClNO9
Molecular Weight	491.875
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	7 / 7
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 15:01:41 UTC 2023` Edited by `admin` on `Sat Dec 16 15:01:41 UTC 2023`
Record UNII	QEW8YGX9F7
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

N-DESMETHYLASENAPINE N-CARBAMOYL GLUCURONIDE

Common Name

English

(2S,3S,4S,5R,6S)-6-(((3AS,12BS)-5-CHLORO-2,3,3A,12B-TETRAHYDRO-1H-DIBENZO(2,3:6,7)OXEPINO(4,5-C)PYRROLE-2-CARBONYL)OXY)-3,4,5-TRIHYDROXYTETRAHYDRO-2H-PYRAN-2-CARBOXYLIC ACID

Common Name

English

Code System Code Type Description

PUBCHEM

156596880

Created by admin on Sat Dec 16 15:01:41 UTC 2023 , Edited by admin on Sat Dec 16 15:01:41 UTC 2023

PRIMARY

FDA UNII

QEW8YGX9F7

Created by admin on Sat Dec 16 15:01:41 UTC 2023 , Edited by admin on Sat Dec 16 15:01:41 UTC 2023

PRIMARY

Related Record Type Details


					JKZ19V908O

ASENAPINE

PARENT -> METABOLITE

Qualification:

PLASMA; URINE

Amount: