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Details

Stereochemistry RACEMIC
Molecular Formula C17H16ClNO2
Molecular Weight 301.768
Optical Activity ( + / - )
Defined Stereocenters 2 / 3
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 1H-DIBENZ(2,3:6,7)OXEPINO(4,5-C)PYRROLE, 5-CHLORO-2,3,3A,12B-TETRAHYDRO-2-METHYL-, 2-OXIDE, (3AR,12BR)-REL-

SMILES

CN1(=O)C[C@]2([H])c3ccccc3Oc4ccc(cc4[C@@]2([H])C1)Cl

InChI

InChIKey=NKNYMFHSPDODLJ-YCQNMSHMSA-N
InChI=1S/C17H16ClNO2/c1-19(20)9-14-12-4-2-3-5-16(12)21-17-7-6-11(18)8-13(17)15(14)10-19/h2-8,14-15H,9-10H2,1H3/t14-,15-,19?/m1/s1

HIDE SMILES / InChI

Molecular Formula C17H16ClNO2
Molecular Weight 301.768
Charge 0
Count
Stereochemistry EPIMERIC
Additional Stereochemistry No
Defined Stereocenters 2 / 3
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Jun 26 07:20:46 UTC 2021
Edited
by admin
on Sat Jun 26 07:20:46 UTC 2021
Record UNII
CBA9V0S6QP
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
1H-DIBENZ(2,3:6,7)OXEPINO(4,5-C)PYRROLE, 5-CHLORO-2,3,3A,12B-TETRAHYDRO-2-METHYL-, 2-OXIDE, (3AR,12BR)-REL-
Systematic Name English
ASENAPINE METABOLITE, ASENAPINE N-OXIDE
Common Name English
ASENAPINE N-OXIDE
Common Name English
Code System Code Type Description
PUBCHEM
131632038
Created by admin on Sat Jun 26 07:20:46 UTC 2021 , Edited by admin on Sat Jun 26 07:20:46 UTC 2021
PRIMARY
CAS
1367373-77-0
Created by admin on Sat Jun 26 07:20:46 UTC 2021 , Edited by admin on Sat Jun 26 07:20:46 UTC 2021
PRIMARY
FDA UNII
CBA9V0S6QP
Created by admin on Sat Jun 26 07:20:46 UTC 2021 , Edited by admin on Sat Jun 26 07:20:46 UTC 2021
PRIMARY
Related Record Type Details
PARENT -> METABOLITE
MINOR
PLASMA