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DESMETHYLDOXEPIN

CAS 2887-91-4C18H20ClNOMW 301.8

DESMETHYLDOXEPIN (CAS 2887-91-4) — formula C18H20ClNO, molecular weight 301.8; category organic chemicals.

Product Overview

CAS Number2887-91-4
Molecular FormulaC18H20ClNO
Molecular Weight301.8
CategoryOrganic Chemicals

Technical Profile

What this product is

DESMETHYLDOXEPIN is a carbon-based organic compound with CAS registry number 2887-91-4 and molecular formula C18H20ClNO (molecular weight 301.8), belonging to the organic chemicals segment of chemical raw materials.

Identification

CAS number: 2887-91-4

Its molecular formula C18H20ClNO comprises 18 C, 20 H, 1 Cl, 1 N, 1 O atoms.

Also known as: DESMETHYLDOXEPIN · nordoxepin hydrochloride

Category: organic chemicals

Frequently Asked Questions

What is the CAS number of DESMETHYLDOXEPIN?

The CAS registry number of DESMETHYLDOXEPIN is 2887-91-4.

What is the molecular formula and molecular weight of DESMETHYLDOXEPIN?

Molecular formula C18H20ClNO, molecular weight 301.8.

What other names is DESMETHYLDOXEPIN known by?

It is also registered under: DESMETHYLDOXEPIN, nordoxepin hydrochloride.

Which category does DESMETHYLDOXEPIN belong to?

Category: Organic Chemicals.

PubChem Public Data

Independent reference data for DESMETHYLDOXEPIN (CAS 2887-91-4), compiled from public chemistry databases.

Registry identifiers across databases

CAS Registry Number2887-91-4
PubChem CID6433350
Molecular formulaC18H20ClNO
IUPAC name(3Z)-3-(6H-benzo[c][1]benzoxepin-11-ylidene)-N-methylpropan-1-amine;hydrochloride
UNII (FDA)ZII8992NO2

Computed descriptors

Molecular Weight301.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Exact Mass301.1233420
Monoisotopic Mass301.1233420
Topological Polar Surface Area21.3
Heavy Atom Count21

Documented uses on record

  • Substances that contain a fused three-ring moiety and are used in the treatment of depression. These drugs block the uptake of norepinephrine and serotonin into axon terminals and may block some subtypes of serotonin, adrenergic, and histamine receptors. However, the mechanism of their antidepressant effects is not clear because the therapeutic effects usually take weeks to develop and may reflect compensatory changes in the central nervous system.

Synonyms and trade names

N-Desmethyldoxepin hydrochloride; 2887-91-4; GB360TK63M; 1-Propanamine, 3-dibenz(b,e)oxepin-11(6H)-ylidene-N-methyl-, hydrochloride; RefChem:919938; Desmethyldoxepin hydrochloride; Desmethyldoxepin hydrochloride, (Z)-; 124694-02-6; UNII-ZII8992NO2; N-Desmethyl (Z)-Doxepin Hydrochloride; ZII8992NO2; (3Z)-3-(6H-benzo[c][1]benzoxepin-11-ylidene)-N-methylpropan-1-amine;hydrochloride; 1-Propanamine, 3-dibenz(b,E)oxepin-11(6H)-ylidene-N-methyl-, hydrochloride (1:1), (3Z)-; 1-Propanamine, 3-dibenz(b,E)oxepin-11(6H)-ylidene-N-methyl-, hydrochloride, (Z)-; Desmethyldoxepin (hydrochloride); Nordoxepin hydrochloride

GHS hazard classification

Reported hazard statementsH302 (100%), H400 (100%)

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

H400 (100%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]

What the public record says

DESMETHYLDOXEPIN · CAS 2887-91-4 · C18H20ClNO. UNII ZII8992NO2.

Source: PubChem / Wikidata; the batch COA governs where values differ.

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Supplier: Jinan Shenghe Chemical Co., Ltd.

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