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Home> Hot Product Listed T   > Toxins, cholera

Toxins, cholera

CAS No.:9012-63-9
Molecular Weight:0
Molecular Formula: C22H29FO5 (Products with the same molecular formula)
Names and Identifiers
Synonyms

CholeragenoidToxins, cholera Choleragen Toxins, exo-, choleraCholeratoxin Cholera toxins

Inchi
InChI=1S/C22H29FO5/c1-12-8-16-15-5-4-13-9-14(25)6-7-19(13,2)21(15,23)17(26)10-20(16,3)22(12,28)18(27)11-24/h6-7,9,12,15-17,24,26,28H,4-5,8,10-11H2,1-3H3/t12-,15+,16+,17+,19+,20+,21+,22+/m1/s1
Canonical Smiles
CC1CC2C3CCC4=CC(=O)C=CC4(C3(C(CC2(C1(C(=O)CO)O)C)O)F)C
Isomers Smiles
C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@@]4([C@]3([C@H](C[C@@]2([C@]1(C(=
O)CO)O)C)O)F)C
Properties
Melting Point
262-264 deg C
Solubilities
Solubility in water (25 deg C): 10 mg/100 mL; sol in acetone, ethanol, chloroform
In water, 89.0 mg/L at 25 deg C
Color/Form
Crystals from ether
WHITE TO PRACTICALLY WHITE CRYSTALLINE POWDER
Storage temp
0-6°C
Spectral properties
Specific optical rotation: +77.5 deg at 25 deg C/D (dioxane)
IR: u 5108 (Coblentz Society spectral collection) /spectra converted from micrometers to wavenumbers/
Safety and Handling
Safety Statements
A poison by intravenous route. Experimental reproductive effects. Mutation data reported. When heated to decomposition it emits acrid smoke and irritating vapors.
HazardClass
6.1
Safety

A poison by intravenous route. Experimental reproductive effects. Mutation data reported. When heated to decomposition it emits acrid smoke and irritating vapors.
RIDADR: 3172
HazardClass: 6.1
PackingGroup: I

PackingGroup
I
Transport
3172
Formulations/Preparations
Parenteral Injection, for IM or IV use: 4 mg (of dexamethasone phosphate) per mL Dexmethasone Sodium Phosphate Injection (with benzyl alcohol 1%), (Abraxis), Dexamethasone Sodium Phosphate Injection ( with benzyl alcohol 1%), American Regent 10 mg (of dexamethasone phosphate) per mL Dexmethasone Sodium Phosphate Injection (preservative-free), (Abraxis). /Dexamethasone sodium phosphate/
Oral: Elixir 0.5 mg/5 mL Dexamethasone Elixir (with alcohol 5%), (Actavis), Dexamethasone Elixir (with alcohol 5%), (Morton Grove Pharmaceuticals) Solution: 0.5 mg/5 mL Dexamethasone Oral Solution, (Roxane). Solution, concentrate: 0.5 mg/0.5 mL Dexamethasone Intensol (with alcohol 30%), (Roxane). Tablets: 0.25 mg 0.5 mg Decadron (scored), (Merck); 0.75 mg Decadron (scored), (Merck); 1 mg Dexamethasone Tablets, (Roxane); 1.5 mg Dexpak Taperpak (available as 13-day mnemonic pack of 51 tablets), (ECR), Dexamethasone Tablets, (Par), Dexamethasone Tablets, (Roxane), Dexamethasone Tablets, (Par), Dexamethasone Tablets, (Roxane); 2 mg Dexamethasone Tablets, (Roxane); 4 mg Dexamethasone Tablets, (Par), Dexamethasone Tablets, (Roxane); 6 mg Dexamethasone Tablets, (Par), Dexamethasone Tablets, (Roxane).
Ophthalmic: Solution: 0.1% (of dexamethasone phosphate) Dexamethasone Sodium Phosphate Ophthalmic Solution, Bausch & Lomb).
Ophthalmic Suspension: 0.1% Maxidex (with benzalkonium chloride; viscous), (Alcon).
Exposure Standards and Regulations
The Approved Drug Products with Therapeutic Equivalence Evaluations List identifies currently marketed prescription drug products, incl dexamethasone sodium phosphate approved on the basis of safety and effectiveness by FDA under sections 505 of the Federal Food, Drug, and Cosmetic Act. /Dexamethasone sodium phosphate/
The Approved Drug Products with Therapeutic Equivalence Evaluations List identifies currently marketed prescription drug products, incl dexamethasone, approved on the basis of safety and effectiveness by FDA under sections 505 of the Federal Food, Drug, and Cosmetic Act.
The Generic Animal Drug and Patent Restoration act requires that each sponsor of an approved animal drug must submit to the FDA certain information regarding patents held for the animal drug or its method of use. The Act requires that this information, as well as a list of all animal drug products approved for safety and effectiveness, be made available to the public. Dexamethasone-21-isonicotinate is included on this list. /Dexamethasone-21-isonicotinate/
The Generic Animal Drug and Patent Restoration act requires that each sponsor of an approved animal drug must submit to the FDA certain information regarding patents held for the animal drug or its method of use. The Act requires that this information, as well as a list of all animal drug products approved for safety and effectiveness, be made available to the public. Dexamethasone sodium phosphate is included on this list. /Dexamethasone Sodium Phosphate/
The Generic Animal Drug and Patent Restoration act requires that each sponsor of an approved animal drug must submit to the FDA certain information regarding patents held for the animal drug or its method of use. The Act requires that this information, as well as a list of all animal drug products approved for safety and effectiveness, be made available to the public. Dexamethasone is included on this list.
Oral dosage form new animal drugs. ... Dexamethasone powder is indicated in cases where cattle and horses require additional steroid therapy following its parenteral administration. The drug is used as supportive therapy for management or inflammatory conditions such as acute arthritic lameness, and for various stress conditions where corticosteroids are required while the animal is being treated for a specific condition. ... Federal law restricts this drug to use by or on the order of a licensed veterinarian. A withdrawal period has not been established for this product in preruminating calves. Do not use in calves to be processed for veal.
Oral dosage form new animal drugs. ... Dexamethasone bolus is indicated in cases where cattle and horses require additional steroid therapy following its parenteral administration. The drug may be used as supportive therapy for management of inflammatory conditions such as acute arthritic lamenesses, and for various stress conditions where corticosteroids are required while the animal is being treated for a specific condition. ... In treatment of dogs and cats as an anti-inflammatory agent. ... Federal law restricts this drug to use by or on the order of a licensed veterinarian.
Oral dosage form new animal drugs. ... Dexamethasone chewable tablets. ... Indications for use. Supportive therapy in nonspecific dermatosis and inflammatory conditions in dogs. ... Federal law restricts this drug to use by or on the order of a licensed veterinarian.
Implantation or injectable dosage form new animal drugs. Dexamethasone injection. ... The drug is indicated: (A) For the treatment of primary bovine ketosis and as an anti-inflammatory agent in cattle and horses; (B) As an anti-inflammatory agent in dogs and cats. ... Federal law restricts this drug to use by or on the order of a licensed veterinarian.
Specification

 Cholera Toxin (9012-63-9) is an oligomeric complex made up of six protein subunits: a single copy of the A subunit (part A), and five copies of the B subunit (part B). The two parts are connected by a disulfide bond. The three-dimensional structure of the toxin was determined using X-ray crystallography by Zhang et al. in 1995. The five B subunits—each weighing 12 kDa, and all coloured blue in the accompanying figure—form a five-membered ring. The A subunit has two important segments. The A1 portion of the chain (CTA1, red) is a globular enzyme payload that ADP-ribosylates G proteins, while the A2 chain (CTA2, orange) forms an extended alpha helix which seats snugly in the central pore of the B subunit ring.This structure is similar in shape, mechanism, and sequence to the heat-labile enterotoxin secreted by some strains of the Escherichia coli bacterium.

Octanol/Water Partition Coefficient
log Kow = 1.83
Disposal Methods
SRP: At the time of review, criteria for land treatment or burial (sanitary landfill) disposal practices are subject to significant revision. Prior to implementing land disposal of waste residue (including waste sludge), consult with environmental regulatory agencies for guidance on acceptable disposal practices.
Reach Info
Globally, no enterprise has officially registered the substance REACH.
Other official information: ·ECHA Information Page for CAS: 9012-63-9 EC: Toxins, cholera ·ECHA C&L Inventory for CAS: CAS: 9012-63-9 EC: Toxins, cholera
Computational chemical data

Molecular Weight:392.461063 [g/mol]
Molecular Formula:C22H29FO5
XLogP3:1.9
H-Bond Donor:3
H-Bond Acceptor:6
Rotatable Bond Count:2
Tautomer Count:9
Exact Mass:392.199902
MonoIsotopic Mass:392.199902
Topological Polar Surface Area:94.8
Heavy Atom Count:28
Formal Charge:0
Complexity:805
Isotope Atom Count:0
Defined Atom Stereocenter Count:8
Undefined Atom Stereocenter Count:0
Defined Bond Stereocenter Count:0
Undefined Bond Stereocenter Count:0
Covalently-Bonded Unit Count:1
Feature 3D Acceptor Count:5
Feature 3D Donor Count:3
Feature 3D Ring Count:4
Effective Rotor Count:3.4
Conformer Sampling RMSD:0.8
CID Conformer Count:2