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Details

Stereochemistry RACEMIC
Molecular Formula C16H14ClNO
Molecular Weight 271.742
Optical Activity ( + / - )
Defined Stereocenters 2 / 2
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-, (3AR,12BR)-REL-

SMILES

c1ccc2c(c1)[C@@]3([H])CNC[C@]3([H])c4cc(ccc4O2)Cl

InChI

InChIKey=DQUCRGAOGUQHJQ-ZIAGYGMSSA-N
InChI=1S/C16H14ClNO/c17-10-5-6-16-12(7-10)14-9-18-8-13(14)11-3-1-2-4-15(11)19-16/h1-7,13-14,18H,8-9H2/t13-,14-/m1/s1

HIDE SMILES / InChI

Molecular Formula C16H14ClNO
Molecular Weight 271.742
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 14:02:43 UTC 2021
Edited
by admin
on Sat Jun 26 14:02:43 UTC 2021
Record UNII
OH4FCX9R0X
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-, (3AR,12BR)-REL-
Systematic Name English
ASENAPINE METABOLITE PC19
Common Name English
REL-(3AR,12BR)-5-CHLORO-2,3,3A,12B-TETRAHYDRO-1H-DIBENZ(2,3:6,7)OXEPINO(4,5-C)PYRROLE
Systematic Name English
ORG 30526
Code English
1H-DIBENZ(2,3:6,7)OXEPINO(4,5-C)PYRROLE, 5-CHLORO-2,3,3A,12B-TETRAHYDRO-, TRANS-
Systematic Name English
N-DESMETHYLASENAPINE
Common Name English
Code System Code Type Description
FDA UNII
OH4FCX9R0X
Created by admin on Sat Jun 26 14:02:43 UTC 2021 , Edited by admin on Sat Jun 26 14:02:43 UTC 2021
PRIMARY
CAS
128915-56-0
Created by admin on Sat Jun 26 14:02:43 UTC 2021 , Edited by admin on Sat Jun 26 14:02:43 UTC 2021
PRIMARY
PUBCHEM
44568616
Created by admin on Sat Jun 26 14:02:43 UTC 2021 , Edited by admin on Sat Jun 26 14:02:43 UTC 2021
PRIMARY
Related Record Type Details
PARENT -> METABOLITE
FECAL; PLASMA