1H-DIBENZ(2,3:6,7)OXEPINO(4,5-C)PYRROLE, 5-CHLORO-2,3,3A,12B-TETRAHYDRO-, (3AR,12BR)-REL-

Details

Stereochemistry	RACEMIC
Molecular Formula	C16H14ClNO
Molecular Weight	271.741
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-

Structure Search

SMILES

ClC1=CC2=C(OC3=CC=CC=C3[C@H]4CNC[C@H]24)C=C1

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

Approval Year

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

N-DESMETHYLASENAPINE

Preferred 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

Code System Code Type Description

FDA UNII

OH4FCX9R0X

Created by admin on Wed Apr 02 05:11:25 GMT 2025 , Edited by admin on Wed Apr 02 05:11:25 GMT 2025

PRIMARY

EPA CompTox

DTXSID30659520

Created by admin on Wed Apr 02 05:11:25 GMT 2025 , Edited by admin on Wed Apr 02 05:11:25 GMT 2025

PRIMARY

CAS

128915-56-0

Created by admin on Wed Apr 02 05:11:25 GMT 2025 , Edited by admin on Wed Apr 02 05:11:25 GMT 2025

PRIMARY

PUBCHEM

44568616

Created by admin on Wed Apr 02 05:11:25 GMT 2025 , Edited by admin on Wed Apr 02 05:11:25 GMT 2025

PRIMARY

PARENT (METABOLITE)


					JKZ19V908O

ASENAPINE

SUBSTANCE RECORD


					OH4FCX9R0X

1H-DIBENZ(2,3:6,7)OXEPINO(4,5-C)PYRROLE, 5-CHLORO-2,3,3A,12B-TETRAHYDRO-, (3AR,12BR)-REL-