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Details

Stereochemistry MIXED
Molecular Formula C22H22ClNO8
Molecular Weight 463.8658
Optical Activity UNSPECIFIED
Defined Stereocenters 7 / 7
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of (2S,3S,4S,5R,6S)-6-(((3ARS,12BRS)-11-CHLORO-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

c1cc2c(cc1Cl)[C@@]3([H])CNC[C@]3([H])c4cc(ccc4O2)O[C@@]5([H])[C@@]([H])([C@]([H])([C@@]([H])([C@@]([H])(C(=O)O)O5)O)O)O

InChI

InChIKey=NYAPARXUIKPWLQ-PPNJSQLMSA-N
InChI=1S/C22H22ClNO8/c23-9-1-3-15-11(5-9)13-7-24-8-14(13)12-6-10(2-4-16(12)31-15)30-22-19(27)17(25)18(26)20(32-22)21(28)29/h1-6,13-14,17-20,22,24-27H,7-8H2,(H,28,29)/t13-,14-,17+,18+,19-,20+,22-/m1/s1

HIDE SMILES / InChI

Molecular Formula C22H22ClNO8
Molecular Weight 463.8658
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 07:00:23 UTC 2021
Edited
by admin
on Sat Jun 26 07:00:23 UTC 2021
Record UNII
FOL8P5KGJ9
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
(2S,3S,4S,5R,6S)-6-(((3ARS,12BRS)-11-CHLORO-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
ASENAPINE-11-DIHYDROXY-N-DESMETHYL-GLUCURONIDE
Common Name English
Code System Code Type Description
PUBCHEM
139593552
Created by admin on Sat Jun 26 07:00:23 UTC 2021 , Edited by admin on Sat Jun 26 07:00:23 UTC 2021
PRIMARY
FDA UNII
FOL8P5KGJ9
Created by admin on Sat Jun 26 07:00:23 UTC 2021 , Edited by admin on Sat Jun 26 07:00:23 UTC 2021
PRIMARY
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