Diphenhydramine Citrate

Basic Information

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CAS Number

88637-37-0

Molecular Formula

C23H29NO8

Molecular Weight

447.48 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Ethers

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Basic Physical Properties

SMILES

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OC(=O)C(CC(=O)O)(CC(=O)O)O.CN(CCOC(c1ccccc1)c1ccccc1)C

InChI

InChI=1S/C17H21NO.C6H8O7/c1-18(2)13-14-19-17(15-9-5-3-6-10-15)16-11-7-4-8-12-16;7-3(8)1-6(13,5(11)12)2-4(9)10/h3-12,17H,13-14H2,1-2H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)

InChIKey

SPCKHVPPRJWQRZ-UHFFFAOYSA-N

LogP

2.1057000000000006

Topological Polar Surface Area

144.6 Å²

Hydrogen Bond Donor/Acceptor

4 / 9

Complexity

439

Safety Information

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Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

H336 May cause drowsiness or dizziness
Specific target organ toxicity, single exposure; Narcotic effects

Synonyms & References

English

2-(Benzhydryloxy)-N,N-dimethylethanamine 2-hydroxypropane-1,2,3-tricarboxylate
[2-(Diphenylmethoxy)ethyl]dimethylammonium dihydrogen 2-hydroxypropane-1,2,3-tricarboxylate
Diphenhydramine Citrate
2-benzhydryloxy-N,N-dimethylethanamine,2-hydroxypropane-1,2,3-tricarboxylic acid
diphenhydramine dihydrogencitrate
Diphenhydramine laurylsulfate
Diphenhydramine tannate
UNII-4OD433S209
Benzhydramine citrate

MDL Number

MFCD08061593

Customs Code

2922509090

FAQ

What are the physical and chemical properties of Diphenhydramine Citrate (CAS: 88637-37-0)?

Diphenhydramine Citrate (CAS: 88637-37-0) is a white, crystalline powder with a molecular weight of approximately 378.37 g/mol. It has good solubility in water and low solubility in organic solvents. It is stable under normal conditions but may react with strong bases. It is used in pharmaceuticals and cosmetics.

How is Diphenhydramine Citrate (CAS: 88637-37-0) typically synthesized?

Diphenhydramine Citrate can be synthesized by reacting diphenhydramine hydrochloride with sodium citrate under mild conditions. The reaction involves the substitution of the chloride ion with the citrate group. Common solvents include ethanol or water, and the yield is typically between 80-90%.

What industries use Diphenhydramine Citrate (CAS: 88637-37-0)?

Diphenhydramine Citrate (CAS: 88637-37-0) is primarily used in the pharmaceutical industry for its antihistaminic properties. It is also used in cosmetics and toiletries for its moisturizing and anti-inflammatory effects.

What precautions should be taken when handling Diphenhydramine Citrate (CAS: 88637-37-0)?

When handling Diphenhydramine Citrate (CAS: 88637-37-0), it is important to wear protective gloves and goggles. Store in a cool, dry place away from strong bases. In case of spill, use a fume hood. Refer to the Safety Data Sheet (SDS) for detailed handling and disposal instructions.