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Aluminium hydroxychloride
Also known as: Db11573, Q27280046
Molecular Formula
Al2ClH7O6
Molecular Weight
192.47  g/mol
InChI Key
ZLVPDILYQLCEJO-UHFFFAOYSA-H

Aluminum chlorohydrate is a group of water-soluble aluminum complexes with the general formula AlnCl(3n-m)(OH)m. It is included up to 25% in over-the-counter hygiene products as an active antiperspirant agent. The primary site of action of aluminum chlorohydrate is at the level of the stratum corneum layer, which is relatively near the skin surface. It is also used as a coagulant in the water purification process.
1 2D Structure

Aluminium hydroxychloride

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
dialuminum;chloride;pentahydroxide;hydrate
2.1.2 InChI
InChI=1S/2Al.ClH.6H2O/h;;1H;6*1H2/q2*+3;;;;;;;/p-6
2.1.3 InChI Key
ZLVPDILYQLCEJO-UHFFFAOYSA-H
2.1.4 Canonical SMILES
O.[OH-].[OH-].[OH-].[OH-].[OH-].[Al+3].[Al+3].[Cl-]
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. Db11573

2. Q27280046

2.3 Create Date
2013-07-08
3 Chemical and Physical Properties
Molecular Weight 192.47 g/mol
Molecular Formula Al2ClH7O6
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count7
Rotatable Bond Count0
Exact Mass191.956192 g/mol
Monoisotopic Mass191.956192 g/mol
Topological Polar Surface Area6 Ų
Heavy Atom Count9
Formal Charge0
Complexity0
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count9
4 Drug and Medication Information
4.1 Drug Indication

Indicated for use as an antiperspirant.


5 Pharmacology and Biochemistry
5.1 Pharmacology

Aluminum chlorohydrate serves to reduce excessive sweating by directly blocking the sweat ducts.


5.2 Absorption, Distribution and Excretion

Absorption

Penetration of aluminum chlorohydrate following dermal application is minimal, with the rate being around 0.01% and up to 0.06% in pre-damaged skin. In a preliminary study, dermally applied aluminium chlorohydrate displayed 0.012% of the applied aluminium being absorbed through the skin, which accounts for 4 mcg of aluminum following a single dermal application. This is about 2.5% of the aluminium typically absorbed by the gut from food over the same time period.


Route of Elimination

No pharmacokinetic information available.


Volume of Distribution

No pharmacokinetic information available.


Clearance

No pharmacokinetic information available.


5.3 Metabolism/Metabolites

No pharmacokinetic information available.


5.4 Biological Half-Life

No pharmacokinetic information available.


5.5 Mechanism of Action

Aluminum salts plug eccrine sweat pores and forms aggregates with swear proteins that bind to the wall of the sweat duct and form a tenuous membrane.


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