(2S,3S,4S,5R,6S)-6-(((3A-RS,12B-RS)-11-CHLORO-2-METHYL-2,3,3A,12B-TETRAHYDRO-1H-DIBENZO(2,3:6,7)OXEPINO(4,5-C)PYRROL-5-YL)OXY)-3,4,5-TRIHYDROXYTETRAHYDRO-2H-PYRAN-2-CARBOXYLIC ACID

Details

Stereochemistry	MIXED
Molecular Formula	C23H24ClNO8
Molecular Weight	477.8924
Optical Activity	UNSPECIFIED
Defined Stereocenters	7 / 7
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of (2S,3S,4S,5R,6S)-6-(((3A-RS,12B-RS)-11-CHLORO-2-METHYL-2,3,3A,12B-TETRAHYDRO-1H-DIBENZO(2,3:6,7)OXEPINO(4,5-C)PYRROL-5-YL)OXY)-3,4,5-TRIHYDROXYTETRAHYDRO-2H-PYRAN-2-CARBOXYLIC ACID

Structure Search

SMILES

CN1C[C@]2([H])c3cc(ccc3Oc4ccc(cc4[C@@]2([H])C1)O[C@@]5([H])[C@@]([H])([C@]([H])([C@@]([H])([C@@]([H])(C(=O)O)O5)O)O)O)Cl

InChI

InChIKey=RZWSXFFILBYCPB-OIGZHMEQSA-N

InChI=1S/C23H24ClNO8/c1-25-8-14-12-6-10(24)2-4-16(12)32-17-5-3-11(7-13(17)15(14)9-25)31-23-20(28)18(26)19(27)21(33-23)22(29)30/h2-7,14-15,18-21,23,26-28H,8-9H2,1H3,(H,29,30)/t14-,15-,18+,19+,20-,21+,23-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C23H24ClNO8
Molecular Weight	477.8924
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 Jun 26 03:40:59 UTC 2021` Edited by `admin` on `Sat Jun 26 03:40:59 UTC 2021`
Record UNII	57VF2B3P4V
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

(2S,3S,4S,5R,6S)-6-(((3A-RS,12B-RS)-11-CHLORO-2-METHYL-2,3,3A,12B-TETRAHYDRO-1H-DIBENZO(2,3:6,7)OXEPINO(4,5-C)PYRROL-5-YL)OXY)-3,4,5-TRIHYDROXYTETRAHYDRO-2H-PYRAN-2-CARBOXYLIC ACID

Systematic Name

English

11-GLUCURONIDEASENAPINE

Common Name

English

ASENAPINE-11-GLUCURONIDE METABOLITE

Common Name

English

Code System Code Type Description

FDA UNII

57VF2B3P4V

Created by admin on Sat Jun 26 03:40:59 UTC 2021 , Edited by admin on Sat Jun 26 03:40:59 UTC 2021

PRIMARY

PUBCHEM

139593428

Created by admin on Sat Jun 26 03:40:59 UTC 2021 , Edited by admin on Sat Jun 26 03:40:59 UTC 2021

PRIMARY

Related Record Type Details


					JKZ19V908O

ASENAPINE

PARENT -> METABOLITE

Qualification:

PLASMA; URINE