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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.

Specifications

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

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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

Public-database records for DESMETHYLDOXEPIN (CAS 2887-91-4), reproduced here for independent cross-checking.

Safety classification and hazard statements

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]

How this substance is indexed

CAS Registry Number2887-91-4
PubChem CID6433350
分子式C18H20ClNO
IUPAC 名称(3Z)-3-(6H-benzo[c][1]benzoxepin-11-ylidene)-N-methylpropan-1-amine;hydrochloride
UNII(FDA)ZII8992NO2

Documented uses

  • 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.

Names this substance appears under

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

Computed molecular descriptors

分子量301.8
氢键供体数2
氢键受体数2
可旋转键数3
精确质量301.1233420
单同位素质量301.1233420
拓扑极性表面积21.3
重原子数21
形式电荷0
复杂度338

Database abstract

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

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

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