Didesmethyldoxepin

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NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C17H17NO
Molecular Weight	251.323
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure of Didesmethyldoxepin

Structure Search

SMILES

NCC\C=C1/C2=C(COC3=C1C=CC=C3)C=CC=C2

InChI

InChIKey=HLUSHBJOSPBFOC-OQLLNIDSSA-N

InChI=1S/C17H17NO/c18-11-5-9-15-14-7-2-1-6-13(14)12-19-17-10-4-3-8-16(15)17/h1-4,6-10H,5,11-12,18H2/b15-9+

HIDE SMILES / InChI

Approval Year

Name

Type

Language

Didemethyldoxepin

Preferred Name

English

Didesmethyldoxepin

Common Name

English

(3E)-3-(Dibenz[b,e]oxepin-11(6H)-ylidene)-1-propanamine

Systematic Name

English

1-Propanamine, 3-(dibenz[b,e]oxepin-11(6H)-ylidene)-, (3E)-

Systematic Name

English

3-(6H-Benzo(C)(1)benzoxepin-11-ylidene)propan-1-amine

Systematic Name

English

1-Propanamine, 3-(dibenz[b,e]oxepin-11(6H)-ylidene)-

Systematic Name

English

Code System Code Type Description

CAS

5626-16-4

Created by admin on Wed Apr 02 08:09:38 GMT 2025 , Edited by admin on Wed Apr 02 08:09:38 GMT 2025

NON-SPECIFIC STEREOCHEMISTRY

FDA UNII

WET3C6ABZ8

Created by admin on Wed Apr 02 08:09:38 GMT 2025 , Edited by admin on Wed Apr 02 08:09:38 GMT 2025

PRIMARY

EPA CompTox

DTXSID101344084

Created by admin on Wed Apr 02 08:09:38 GMT 2025 , Edited by admin on Wed Apr 02 08:09:38 GMT 2025

PRIMARY

CAS

1115182-65-4

Created by admin on Wed Apr 02 08:09:38 GMT 2025 , Edited by admin on Wed Apr 02 08:09:38 GMT 2025

PRIMARY

PUBCHEM

6434755

Created by admin on Wed Apr 02 08:09:38 GMT 2025 , Edited by admin on Wed Apr 02 08:09:38 GMT 2025

PRIMARY

SUBSTANCE RECORD


					WET3C6ABZ8

Didesmethyldoxepin