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1340-69-8 molecular structure
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oxo[(oxoalumanyl)oxy]alumane silanedione hydrate

ChemBase ID: 398
Molecular Formular: Al2H4O6Si
Molecular Mass: 182.076736
Monoisotopic Mass: 181.94079164
SMILES and InChIs

SMILES:
[Si](=O)=O.[AlH](=O)O[AlH]=O.O
Canonical SMILES:
O=[AlH]O[AlH]=O.O=[Si]=O.O
InChI:
InChI=1S/2Al.O2Si.H2O.3O/c;;1-3-2;;;;/h;;;1H2;;;
InChIKey:
SVPXDRXYRYOSEX-UHFFFAOYSA-N

Cite this record

CBID:398 http://www.chembase.cn/molecule-398.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
oxo[(oxoalumanyl)oxy]alumane silanedione hydrate
IUPAC Traditional name
oxo[(oxoalumanyl)oxy]alumane silica hydrate
aluminium oxide silica hydrate
Brand Name
Bentone 34
Ivy Block
IvyBlock
Synonyms
Bentoquatam
Sodium bentonite
Bentonite, sodium form
皂土, 钠盐形式
CAS Number
1340-69-8
1302-78-9
EC Number
215-108-5
MDL Number
MFCD00130611
Merck Index
141055
PubChem SID
160963861
46508055
PubChem CID
517273

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Alfa Aesar
A15795 external link Add to cart Please log in.

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 2.4684  LogD (pH = 7.4) 2.4684 
Log P 2.4684  Molar Refractivity 4.236 cm3
Polarizability 6.522983 Å3 Polar Surface Area 43.37 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Bioassay(PubChem)
Solubility
Soluble expand Show data source
European Hazard Symbols
Irritant Irritant (Xi) expand Show data source
Risk Statements
36/37/38 expand Show data source
Safety Statements
22-26-36 expand Show data source
TSCA Listed
expand Show data source
GHS Pictograms
GHS07 expand Show data source
GHS Hazard statements
H315-H319-H335 expand Show data source
GHS Precautionary statements
P261-P305+P351+P338-P302+P352-P321-P405-P501A expand Show data source

DETAILS

DETAILS

DrugBank DrugBank
DrugBank - DB00516 external link
Item Information
Drug Groups approved
Description Bentoquatam is a topical medication intended to act as a shield against exposure to the irritating substance urushiol, found in plants such as poison ivy or poison oak. Bentoquatam contains bentonite, a clay, and is only effective as long as the film is visible on the skin.
Indication Used to prevent or reduce the severity of allergic contact dermatitis due to urushiol, the allergenic resin of poison ivy, poison oak, and poison sumac.
Pharmacology Bentoquatam protects the skin like a shield against poison ivy, poison oak, and poison sumac by physically blocking skin contact with their resin. The best protection against getting these conditions is to avoid contact with these plants. This medicine does not dry oozing and weeping caused by the rash of poison ivy, poison oak, or poison sumac.
Toxicity Rare side effects include mild erythema (mild redness of skin).
Affected Organisms
Humans and other mammals
References
Scott MJ, Heumann MA, DeBruyckere DM, Brundage TW, Kohn MA: The feasibility of using skin protectant products and education to prevent poison oak. Wilderness Environ Med. 2002 Fall;13(3):206-8. [Pubmed]
External Links
Wikipedia
Drugs.com

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
  • • Scott MJ, Heumann MA, DeBruyckere DM, Brundage TW, Kohn MA: The feasibility of using skin protectant products and education to prevent poison oak. Wilderness Environ Med. 2002 Fall;13(3):206-8. Pubmed
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PATENTS

PATENTS

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INTERNET

INTERNET

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