General Information

MaintermZINC SULFATE, ANHYDROUS
CAS Reg.No.(or other ID)7733-02-0
Regnum

From www.fda.gov

Computed Descriptors

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2D Structure
CID24424
IUPAC Namezinc;sulfate
InChIInChI=1S/H2O4S.Zn/c1-5(2,3)4;/h(H2,1,2,3,4);/q;+2/p-2
InChI KeyNWONKYPBYAMBJT-UHFFFAOYSA-L
Canonical SMILES[O-]S(=O)(=O)[O-].[Zn+2]
Molecular FormulaZnSO4
Wikipediazinc sulfate anhydrous

From Pubchem


Computed Properties

Property Name Property Value
Molecular Weight161.436
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count0
Complexity62.2
CACTVS Substructure Key Fingerprint A A A D c Q A A O A B A A A A C 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 D 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 Area88.6
Monoisotopic Mass159.881
Exact Mass159.881
Compound Is CanonicalizedTrue
Formal Charge0
Heavy Atom Count6
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Isotope Atom Count0
Covalently-Bonded Unit Count2

From Pubchem


Toxicity Profile

Route of ExposureInhalation ; oral ; dermal
Mechanism of ToxicityAnaemia results from the excessive absorption of zinc suppressing copper and iron absorption, most likely through competitive binding of intestinal mucosal cells. Unbalanced levels of copper and zinc binding to Cu,Zn-superoxide dismutase has been linked to amyotrophic lateral sclerosis (ALS). Stomach acid dissolves metallic zinc to give corrosive zinc chloride, which can cause damage to the stomach lining. Metal fume fever is thought to be an immune response to inhaled zinc.
MetabolismZinc can enter the body through the lungs, skin, and gastrointestinal tract. Intestinal absorption of zinc is controlled by zinc carrier protein CRIP. Zinc also binds to metallothioneins, which help prevent absorption of excess zinc. Zinc is widely distributed and found in all tissues and tissues fluids, concentrating in the liver, gastrointestinal tract, kidney, skin, lung, brain, heart, and pancreas. In the bloodstream zinc is found bound to carbonic anhydrase in erythrocytes, as well as bound to albumin, _2-macroglobulin, and amino acids in the the plasma. Albumin and amino acid bound zinc can diffuse across tissue membranes. Zinc is excreted in the urine and faeces.
Toxicity ValuesLD50: 57 mg/kg (Oral, Mouse) LD50: 71.7 mg/kg (Intraperitoneal, Mouse) LD50: 40 mg/kg (Intravenous, Rat)
Lethal Dose10 to 30 grams for and adult human.
Carcinogenicity (IARC Classification)No indication of carcinogenicity to humans (not listed by IARC).
Minimum Risk LevelIntermediate Oral: 0.3 mg/kg/day Chronic Oral: 0.3 mg/kg/day
Health EffectsChronic exposure to zinc causes anemia, atazia, lethargy, and decreases the level of good cholesterol in the body. It is also believed to cause pancreatic and reproductive damage. (L49)
TreatmentZinc poisoning is treated symptomatically, often by administering fluids such as water or milk, or with gastric lavage.
Reference
  1. Vonk WI, Klomp LW: Role of transition metals in the pathogenesis of amyotrophic lateral sclerosis. Biochem Soc Trans. 2008 Dec;36(Pt 6):1322-8. doi: 10.1042/BST0361322.[19021549 ]
  2. Ozkan S, Ozkan H, Fetil E, Corapcioglu F, Yilmaz S, Ozer E: Acrodermatitis enteropathica with Pseudomonas aeruginosa sepsis. Pediatr Dermatol. 1999 Nov-Dec;16(6):444-7.[10632941 ]
  3. Kneist W, Hempel B, Borelli S: [Clinical double-blind trial of topical zinc sulfate for herpes labialis recidivans]. Arzneimittelforschung. 1995 May;45(5):624-6.[7612066 ]

From T3DB


Taxonomic Classification

KingdomInorganic compounds
SuperclassMixed metal/non-metal compounds
ClassTransition metal oxoanionic compounds
SubclassTransition metal sulfates
Intermediate Tree NodesNot available
Direct ParentTransition metal sulfates
Alternative Parents
Molecular FrameworkNot available
SubstituentsTransition metal sulfate - Inorganic oxide - Inorganic salt
DescriptionThis compound belongs to the class of inorganic compounds known as transition metal sulfates. These are inorganic compounds in which the largest oxoanion is sulfate, and in which the heaviest atom not in an oxoanion is a transition metal.

From ClassyFire


Targets

General Function:
Zinc ion binding
Specific Function:
Destroys radicals which are normally produced within the cells and which are toxic to biological systems.
Gene Name:
SOD1
Uniprot ID:
P00441
Molecular Weight:
15935.685 Da
References
  1. Vonk WI, Klomp LW: Role of transition metals in the pathogenesis of amyotrophic lateral sclerosis. Biochem Soc Trans. 2008 Dec;36(Pt 6):1322-8. doi: 10.1042/BST0361322. [19021549 ]

From T3DB