Doxapram Hydrochloride Hydrate

Basic Information

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CAS Number

7081-53-0

Molecular Formula

C24H33ClN2O3

Molecular Weight

432.99 g/mol

Basic Physical Properties

Physical State

Powder

Melting Point

217-219°

SMILES

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CCN1CC(C(C1=O)(C2=CC=CC=C2)C3=CC=CC=C3)CCN4CCOCC4.O.Cl

InChI

InChI=1S/C24H30N2O2.ClH.H2O/c1-2-26-19-22(13-14-25-15-17-28-18-16-25)24(23(26)27,20-9-5-3-6-10-20)21-11-7-4-8-12-21;;/h3-12,22H,2,13-19H2,1H3;1H;1H2

InChIKey

ZOMBFZRWMLIDPX-UHFFFAOYSA-N

LogP

2.7704000000000004

Topological Polar Surface Area

64.28 Å²

Hydrogen Bond Donor/Acceptor

2 / 5

Complexity

487

Safety Information

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GHS Hazard Pictograms

H301

Hazard Statement

H301 Toxic if swallowed
Acute toxicity, oral

Hazard Class

Class 6.1 Class 6.1

Toxicity

LD50 orally in rats: 261 mg/kg (Goldenthal)

Synonyms & References

English

Dopram hydrochloride hydrate
Q27114354
1-ethyl-4-(2-morpholin-4-ylethyl)-3,3-diphenyl-pyrrolidin-2-one hydrate hydrochloride
1-Ethyl-4-(2-morpholinoethyl)-3,3-diphenylpyrrolidin-2-one hydrochloride hydrate(1:x:x)
NSC 760347
DOXAPRAM HCL MONOHYDRATE
2-Pyrrolidinone, 1-ethyl-4-(2-(4-morpholinyl)ethyl)-3,3-diphenyl-, monohydrochloride, monohydrate, (+-)-
P5RU6UOQ5Y
DOXAPRAM HYDROCHLORIDE HYDRATE [JAN]
(+-)-1-Ethyl-4-(2-morpholinoethyl)-3,3-diphenyl-2-pyrrolidinone monohydrochloride monohydrate
7081-53-0
DOXAPRAM HYDROCHLORIDE [ORANGE BOOK]
BCP04771
1-ETHYL-4-(2-MORPHOLINOETHYL)-3,3-DIPHENYL-2-PYRROLIDINONE HYDROCHLORIDE
15083-72-4
DOXAPRAM HYDROCHLORIDE [VANDF]
DOXAPRAM HYDROCHLORIDE [GREEN BOOK]
SW197706-2
2-PYRROLIDINONE, 1-ETHYL-4-(2-(4-MORPHOLINYL)ETHYL)-3,3-DIPHENYL-, HYDROCHLORIDE (1:1)
CCG-269048
Doxapram hydrochloride (USP)
AHR 619
2-Pyrrolidinone, 1-ethyl-4-[2-(4-morpholinyl)ethyl]-3,3-diphenyl-,monohydrochloride, monohydrate
AKOS015950783
D01872
DOXAPRAM HYDROCHLORIDE [EP MONOGRAPH]
Doxapram HCl hydrate
UNII-P5RU6UOQ5Y
Dopram (TN)
DOXAPRAM HYDROCHLORIDE [MART.]
DOXAPRAM HYDROCHLORIDE [USP-RS]

MDL Number

MFCD09954698

FAQ

What are the physical and chemical properties of Doxapram Hydrochloride Hydrate (CAS: 7081-53-0)?

Doxapram Hydrochloride Hydrate is a crystalline compound with a molecular weight of approximately 271.7 g/mol. It has a solubility of about 32.5 g/L in water at 20°C. The compound is relatively stable under normal conditions but may undergo hydrolysis in the presence of water. It is slightly soluble in ethanol and almost insoluble in chloroform and ether.

How is Doxapram Hydrochloride Hydrate (CAS: 7081-53-0) typically synthesized?

Doxapram Hydrochloride Hydrate is typically synthesized by the reaction of 4-(2-hydroxy-5-oxopyridin-1(2H)-yl)butanoic acid with hydrochloric acid. The reaction is carried out in the presence of a catalyst such as sodium acetate, leading to a high yield of the desired product. The resulting product is then crystallized from a suitable solvent to obtain the hydrate form.

What industries use Doxapram Hydrochloride Hydrate (CAS: 7081-53-0)?

Doxapram Hydrochloride Hydrate is primarily used in the pharmaceutical industry as a respiratory stimulant. It is also used in the development of certain sensor technologies and in some polymer applications for its respiratory stimulant effects.

What precautions should be taken when handling Doxapram Hydrochloride Hydrate (CAS: 7081-53-0)?

When handling Doxapram Hydrochloride Hydrate, it is important to use appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. Work should be conducted in a well-ventilated area or a fume hood. Spills should be cleaned up immediately using appropriate absorbent materials and disposing of waste properly. Safety data sheets (SDS) should be consulted for detailed handling and safety information.