CROCIDOLITE

General Information

Mainterm	CROCIDOLITE
CAS Reg.No.(or other ID)	12001-28-4
Regnum	177.2600

From www.fda.gov

Computed Descriptors

2D Structure
CID	86278622
IUPAC Name	trimagnesium;disodium;dihydroxy(oxo)silane;iron(3+)
InChI	InChI=1S/2Fe.3Mg.2Na.8H2O3Si/c;;;;;;;81-4(2)3/h;;;;;;;81-2H/q2+3;3+2;2*+1;;;;;;;;
InChI Key	ULEFFCDROVNTRO-UHFFFAOYSA-N
Canonical SMILES	O[Si](=O)O.O[Si](=O)O.O[Si](=O)O.O[Si](=O)O.O[Si](=O)O.O[Si](=O)O.O[Si](=O)O.O[Si](=O)O.[Na+].[Na+].[Mg+2].[Mg+2].[Mg+2].[Fe+3].[Fe+3]
Molecular Formula	Fe2H16Mg3Na2O24Si8+14
Wikipedia	diferric;trimagnesium;disodium;dihydroxy(keto)silane

From Pubchem

Computed Properties

Property Name	Property Value
Molecular Weight	855.369
Hydrogen Bond Donor Count	16
Hydrogen Bond Acceptor Count	24
Rotatable Bond Count	0
Complexity	26.3
CACTVS Substructure Key Fingerprint	A A A D c e A A P j w A A C A g A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A C E A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A = =
Topological Polar Surface Area	460.0
Monoisotopic Mass	853.623
Exact Mass	853.623
Compound Is Canonicalized	True
Formal Charge	14
Heavy Atom Count	39
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Isotope Atom Count	0
Covalently-Bonded Unit Count	15

From Pubchem

Toxicity Profile

Route of Exposure	Inhalation ; injection
Mechanism of Toxicity	When asbestos fibers are inhaled, many are deposited on the epithelial surface of the respiratory tree. Fibers that are retained in the lung or mesothelium for long periods of time are capable of producing chronic inflammation and fibrotic and tumorigenic effects. These effects may be mediated by direct interactions between the fiber and key cellular macromolecules, or they may be mediated by the production of reactive oxygen species and other cellular factors originating from alveolar macrophages. In addition, the physical-chemical nature of the fiber appears to be an important determinant of toxicity. It is generally agreed that exposure to amphibole fibers can produce mesothelioma, and that the potency of amphibole fibers to produce mesothelioma is greater than that of chrysotile. Asbestos fibers can adsorb to a variety of cellular macromolecules (e.g., proteins,membrane lipids, RNA, DNA). The coulombic forces between the asbestos fiber and some of these macromolecules may induce conformational changes, and these changes could affect protein function and chromosomal fidelity. Fibers found to be translocated near the nucleus can interact with the cytoskeleton and interfere with chromosome segregation.
Metabolism	Asbestos fibers are not metabolized in the normal sense of the word, and amphibole fibers that are retained in the lung do not appear to undergo any major changes. Some of the fibers will be deposited in the air passages and on the cells that make up your lungs. Most fibers are removed from the lungs by being carried away or coughed up in a layer of mucus to the throat, where they are swallowed into the stomach. Fibers that are deposited in the deepest parts of the lung are removed more slowly. In fact, some fibers may move through the lungs and can remain in place for many years and may never be removed from the body. Longer fibers that are retained in the lung may undergo a number of processes including translocation, dissolution, fragmentation, splitting, or protein encapsulation. Long fibers that reside in the lung can become encapsulated in protein, forming what is often referred to as an "asbestos body". In response to asbestos fibers, alveolar macrophages produce reactive oxygen species in an attempt to digest the fiber. The reactive oxygen species include hydrogen peroxide and superoxide radical anion (O2-). Fibers that have been swallowed (those present in water, or those moved to the throat from the lungs) almost all pass along the intestines within a few days and are excreted in the feces.
Toxicity Values
Lethal Dose
Carcinogenicity (IARC Classification)	1, carcinogenic to humans.
Minimum Risk Level
Health Effects	Infected people develop a slow buildup of scar-like tissue in the lungs and in the membrane that surrounds the lungs, so breathing becomes difficult. Blood flow to the lung may also be decreased, and this causes the heart to enlarge. This disease is called asbestosis. Infected people have increased chances of getting two principal types of cancer: cancer of the lung tissue itself and mesothelioma, a cancer of the thin membrane that surrounds the lung and other internal organs. The cellular immune system of the patient can be depressed. Also, deletions of chromosome segments have been noted in human mesothelioma cells or cell lines. (L222)
Treatment	In vitro studies have shown that the effects of asbestos can be diminished by compounds that reduce the levels of reactive oxygen species, such as free radical scavengers (ascorbic acid, bemitil, mannitol, salicylate, 5,5'-dimetyl-l-proline N-oxide, rutin, vitamin E, vitamin A) and enzymes that catalyze the decomposition of reactive oxygen species (catalase, superoxide dismutase). Patients should quit smoking, perform bronchial drainage and can use chest physical therapy techniques to further aid in removing secretions. Shortness of breath is treated with bronchodilators, inhaled or oral medications that open up the bronchial tubes and allow the passage of air. In more severe asbestosis cases, supplemental oxygen may be required. Productive cough is treated with humidifiers and chest percussion. Asbestosis can be treated, but not cured.
Reference

From T3DB

Taxonomic Classification

Kingdom	Inorganic compounds
Superclass	Mixed metal/non-metal compounds
Class	Transition metal oxoanionic compounds
Subclass	Transition metal silicates
Intermediate Tree Nodes	Not available
Direct Parent	Transition metal silicates
Alternative Parents	Miscellaneous silicates Metalloid salts Inorganic oxides
Molecular Framework	Not available
Substituents	Transition metal silicate - Silicate - Inorganic oxide - Inorganic metalloid salt
Description	This compound belongs to the class of inorganic compounds known as transition metal silicates. These are inorganic compounds in which the largest oxoanion is silicate, and in which the heaviest atom not in an oxoanion is a transition metal.

From ClassyFire