U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry MIXED
Molecular Formula C23H24ClNO8
Molecular Weight 477.892
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

SMILES

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

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 477.892
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 Thu Jul 06 20:51:32 UTC 2023
Edited
by admin
on Thu Jul 06 20:51:32 UTC 2023
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 Thu Jul 06 20:51:32 UTC 2023 , Edited by admin on Thu Jul 06 20:51:32 UTC 2023
PRIMARY
PUBCHEM
139593428
Created by admin on Thu Jul 06 20:51:32 UTC 2023 , Edited by admin on Thu Jul 06 20:51:32 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> METABOLITE
PLASMA; URINE