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Details

Stereochemistry RACEMIC
Molecular Formula C17H16ClNO3
Molecular Weight 317.7674
Optical Activity ( + / - )
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 10,11-DIHYDROXYASENAPINE

SMILES

CN1C[C@]2([H])c3cc(ccc3Oc4cc(c(cc4[C@@]2([H])C1)O)O)Cl

InChI

InChIKey=BQEXZIIBOVTZLH-CHWSQXEVSA-N
InChI=1S/C17H16ClNO3/c1-19-7-12-10-4-9(18)2-3-16(10)22-17-6-15(21)14(20)5-11(17)13(12)8-19/h2-6,12-13,20-21H,7-8H2,1H3/t12-,13-/m1/s1

HIDE SMILES / InChI

Molecular Formula C17H16ClNO3
Molecular Weight 317.7674
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 2 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Jun 26 15:29:36 UTC 2021
Edited
by admin
on Sat Jun 26 15:29:36 UTC 2021
Record UNII
73L031QSL2
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
10,11-DIHYDROXYASENAPINE
Common Name English
REL-(3AR,12BR)-11-CHLORO-2,3,3A,12B-TETRAHYDRO-2-METHYL-1H-DIBENZ(2,3:6,7)OXEPINO(4,5-C)PYRROLE-5,6-DIOL
Systematic Name English
ASENAPINE METABOLITE (10,11-DIHYDROXYASENAPINE)
Common Name English
1H-DIBENZ(2,3:6,7)OXEPINO(4,5-C)PYRROLE-5,6-DIOL, 11-CHLORO-2,3,3A,12B-TETRAHYDRO-2-METHYL-, (3AR,12BR)-REL-
Systematic Name English
Code System Code Type Description
PUBCHEM
70795523
Created by admin on Sat Jun 26 15:29:36 UTC 2021 , Edited by admin on Sat Jun 26 15:29:36 UTC 2021
PRIMARY
CAS
1262639-50-8
Created by admin on Sat Jun 26 15:29:36 UTC 2021 , Edited by admin on Sat Jun 26 15:29:36 UTC 2021
PRIMARY
FDA UNII
73L031QSL2
Created by admin on Sat Jun 26 15:29:36 UTC 2021 , Edited by admin on Sat Jun 26 15:29:36 UTC 2021
PRIMARY
Related Record Type Details
PARENT -> METABOLITE
MINOR
FECAL