Amoxapine | CAS No. 14028-44-5

Amoxapine

Basic Information

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CAS Number

14028-44-5

Molecular Formula

C17H16ClN3O

Molecular Weight

313.79 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Ethers

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Physical State

Powder

Melting Point

178.0 to 182.0 deg-C

Boiling Point

469.9°C at 760 mmHg

Flash Point

9℃

Solubility

methanol: soluble

Refractive Index

1.5800 (estimate)

Vapor Pressure

0.0±1.2 mmHg at 25°C

SMILES

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C1CN(CCN1)C2=NC3=CC=CC=C3OC4=C2C=C(C=C4)Cl

InChI

InChI=1S/C17H16ClN3O/c18-12-5-6-15-13(11-12)17(21-9-7-19-8-10-21)20-14-3-1-2-4-16(14)22-15/h1-6,11,19H,7-10H2

InChIKey

QWGDMFLQWFTERH-UHFFFAOYSA-N

LogP

3.4292000000000025

Topological Polar Surface Area

36.86 Å²

Hydrogen Bond Donor/Acceptor

1 / 4

Complexity

424

Safety Information

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GHS Hazard Pictograms

H302

Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

Hazard Class

Class 6.1(b) Class 6.1(b)

Toxicity

LD50 in mice (mg/kg): 122 i.p.; 112 orally (Howell, 1972)

Synonyms & References

English

AB00052421_15
8-chloro-6-piperazin-1-yl-benzo[b][1,4]benzoxazepine
DIBENZ(b,f)(1,4)OXAZEPINE, 2-CHLORO-11-(1-PIPERAZINYL)-
s4218
AMOXAPINE [USP-RS]
NCGC00023887-05
AMOXAPINE [INN]
Desmethylloxapin
SR-01000003001-2
8-chloro-6-piperazin-1-ylbenzo[b][1,5]benzoxazepine
Prestwick_503
CL 67,772
BRD-K02265150-001-15-8
Q58356
NCGC00015004-08
T70258
NSC 759559
Spectrum3_001067
14028-44-5
Tox21_110064
NSC-759559
Amoxapina [INN-Spanish]
CL 67772
EINECS 237-867-1
(E)-2-chloro-11-(piperazin-1-yl)dibenzo[b,f][1,4]oxazepine
NCGC00023887-04
DB00543
Moxadil
AMOXAPINE [WHO-DD]
AMOXAPINE [USP IMPURITY]
LP00116

MDL Number

MFCD00069210

Customs Code

2934999090

FAQ

What are the physical and chemical properties of Amoxapine (CAS: 14028-44-5)?

Amoxapine is an antipsychotic and antidepressant drug with a molecular formula of C17H21NO. It has a molecular weight of approximately 259.36 g/mol. Amoxapine is sparingly soluble in water and has a crystalline form. It is not highly reactive but may undergo hydrolysis under acidic conditions. It is stable under normal storage conditions.

How is Amoxapine (CAS: 14028-44-5) typically synthesized?

Amoxapine is synthesized via a multi-step process involving the protection of a hydroxyl group, followed by amidation and deprotection. Commonly used catalysts in the amidation step include coupling reagents like HATU. The overall synthesis yields approximately 70-80%, with good selectivity and purity.

What industries use Amoxapine (CAS: 14028-44-5)?

Amoxapine is primarily used in the pharmaceutical industry due to its psychiatric applications. It is not commonly used in other industries like polymers, sensors, or semiconductors. However, it may be used in pharmaceutical research and development.

What precautions should be taken when handling Amoxapine (CAS: 14028-44-5)?

When handling Amoxapine, wear appropriate personal protective equipment (PPE) including gloves, goggles, and a lab coat. Store in a cool, dry place away from direct sunlight. Avoid contact with eyes and skin, and ensure good ventilation. In case of spill, use appropriate spill kits and follow safety data sheet (SDS) guidelines for disposal.