Doramectin
Also known as Doramectina, Dectomax, Doramectine
Key facts
What buyers check first
- CAS number
- 117704-25-3
- Formula
- C50H74O14
- Molar mass
- 899.13 g/mol
- Melting point
- 116 to 119
- HS code
- 293220
- Category
- Antibiotics and anti-infectives
What is Doramectin?
Plain description, key identifiers and synonyms
doramectin has been reported in Streptomyces avermitilis.
Identifiers
Registry numbers, names and line notations, tap to copy
- IUPAC name
- (1'R,2R,3S,4'S,6S,8'R,10'E,12'S,13'S,14'E,16'E,20'R,21'R,24'S)-2-cyclohexyl-21',24'-dihydroxy-12'-[(2R,4S,5S,6S)-5-[(2S,4S,5S,6S)-5-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-3,11',13',22'-tetramethylspiro[2,3-dihydropyran-6,6'-3,7,19-trioxatetracyclo[15.6.1.14,8.020,24]pentacosa-10,14,16,22-tetraene]-2'-one
- CAS number
- 117704-25-3 CAS number cross-checked
- EC numbers
- 601-490-4, 923-471-2
- Molecular formula
- C50H74O14
- UNII
- KGD7A54H5P
- MDL number
- MFCD00894747
- InChIKey
- QLFZZSKTJWDQOS-YDBLARSUSA-N
- InChI
- InChI=1S/C50H74O14/c1-27-13-12-16-34-26-57-47-42(51)30(4)21-37(50(34,47)54)48(53)60-36-22-35(63-49(25-36)20-19-29(3)45(64-49)33-14-10-9-11-15-33)18-17-28(2)44(27)61-41-24-39(56-8)46(32(6)59-41)62-40-23-38(55-7)43(52)31(5)58-40/h12-13,16-17,19-21,27,29,31-33,35-47,51-52,54H,9-11,14-15,18,22-26H2,1-8H3/b13-12+,28-17+,34-16+/t27-,29-,31-,32-,35+,36-,37-,38-,39-,40-,41-,42+,43-,44-,45-,46-,47+,49+,50+/m0/s1
- Canonical SMILES
- COC1CC(OC2C(C)OC(OC3C(C)=CCC4CC(CC5(C=CC(C)C(C6CCCCC6)O5)O4)OC(=O)C4C=C(C)C(O)C5OCC(=CC=CC3C)C45O)CC2OC)OC(C)C1O
- Isomeric SMILES
- C[C@H]1/C=C/C=C/2\CO[C@H]3[C@@]2([C@@H](C=C([C@H]3O)C)C(=O)O[C@H]4C[C@@H](C/C=C(/[C@H]1O[C@H]5C[C@@H]([C@H]([C@@H](O5)C)O[C@H]6C[C@@H]([C@H]([C@@H](O6)C)O)OC)OC)\C)O[C@]7(C4)C=C[C@@H]([C@H](O7)C8CCCCC8)C)O
Synonyms
- Doramectina
- Dectomax
- Doramectine
- Doramectinum
- UK 67994
- UK-67,994
- Avermectin A1a, 25-cyclohexyl-5-O-demethyl-25-de(1-methylpropyl)-
- Doraject
- DectoGard
- Dectomax Pour-On
- DectoGard Pour-On
- Dectomax Pour-on Solution for Cattle
- Dectomax Injectable Solution for Cattle and Swine
- 25-cyclohexyl-5-O-demethyl-25-de(1-methylpropyl)-Avermectin A1a
- 25-cyclohexyl-5-O-demethyl-25-de(1-methylpropyl)avermectin A1a
- Doramecti
- Doramectin (Standard)
- UK 67,994
- 25-cyclohexyl-avermectin B1
- Cyclohexylavermectin B1, Dectomax
- Doramectin 100 |Ig/mL in Acetonitrile
- Doramectin 100 microg/mL in Acetonitrile
- Doramectin Solution in Methanol, 100ug/mL
- Doramectin Solution in Methanol, 1000ug/mL
- Avermectin A(sub 1a), 25-cyclohexyl-5-O-demethyl-25-de(1-methylpropyl)-
Physical and chemical properties
Measured values and descriptors computed from the structure
Physical and chemical properties
Measured values, check the supplier specification for your grade
| Melting point | 116 to 119exp.Measured value |
|---|
Values vary by grade. Ask suppliers for the COA or TDS of the batch you buy.
Computed descriptors
Calculated from the structure, useful for screening and formulation
| Molecular weight | 899.13 g/molcalc.Computed value |
|---|---|
| Exact mass | 898.5079 Dacalc.Computed value |
| LogP (octanol/water) | 5.91calc.Computed value |
| Topological polar surface area | 170.1 Ųcalc.Computed value |
| Hydrogen bond donors | 3calc.Computed value |
| Hydrogen bond acceptors | 14calc.Computed value |
| Rotatable bonds | 7calc.Computed value |
| Heavy atoms | 64calc.Computed value |
| Rings | 8calc.Computed value |
| Aromatic rings | 0calc.Computed value |
| Fraction sp3 carbons | 0.78calc.Computed value |
| Formal charge | 0calc.Computed value |
| Stereocentres | 19calc.Computed value |
| Lipinski rule of five | Fails (3 violations)calc.Computed value |
Calculated for screening. Confirm critical figures with the supplier.
Murcko scaffold
The ring system that remains when every side chain is removed
O=C1OC2CC(CC=CC(OC3CCC(OC4CCCCO4)CO3)CC=CC=C3COC4CC=CC1C34)OC1(C=CCC(C3CCCCC3)O1)C2
8 rings, 51 atoms.
1 other chemical share this scaffoldSafety and hazards
GHS classification summary, not a safety data sheet
Hazard statements
- H300Fatal if swallowed.
- H301Toxic if swallowed.
- H302Harmful if swallowed.
- H360May damage fertility or the unborn child.
- H361Suspected of damaging fertility or the unborn child.
- H362May cause harm to breast-fed children.
- H370Causes damage to organs.
- H372Causes damage to organs through prolonged or repeated exposure.
- H400Very toxic to aquatic life.
- H410Very toxic to aquatic life with long lasting effects.
Precautionary statements (17)
- P203Obtain, read and follow all safety instructions before use.
- P260Do not breathe dust, fume, gas, mist, vapours or spray.
- P263Avoid contact during pregnancy and while nursing.
- P264Wash skin thoroughly after handling.
- P270Do not eat, drink or smoke when using this product.
- P273Avoid release to the environment.
- P280Wear protective gloves, protective clothing, eye protection and face protection.
- P301 + P316If swallowed: Get emergency medical help immediately.
- P301 + P317If swallowed: Get medical help.
- P308 + P316If exposed or concerned: Get emergency medical help immediately.
- P318If exposed or concerned, get medical advice.
- P319Get medical help if you feel unwell.
- P321Specific treatment (see supplemental first aid instructions on the label).
- P330Rinse mouth.
- P391Collect spillage.
- P405Store locked up.
- P501Dispose of contents and container in accordance with local regulations.
GHS classification summary, not a safety data sheet (SDS). Classifications can differ by supplier, grade and concentration. Always check the supplier's SDS.
Full safety data and first aidDoramectin suppliers
Sponsored listings first, then the documented ranking: membership, verification, replies, completeness, freshness and ratings
- Hong Kong ManufacturerUnclaimed profileDoramectinGrade, purity and minimum order on requestPrice on request
- ManufacturerUnclaimed profileDoramectinGrade, purity and minimum order on requestPrice on request
- China, Wuxi ManufacturerUnclaimed profileDoramectinGrade, purity and minimum order on requestPrice on request
- China ManufacturerUnclaimed profileDoramectinGrade, purity and minimum order on requestPrice on request
- China, Wuhan ManufacturerUnclaimed profileDoramectinGrade, purity and minimum order on requestPrice on request
- China, Shanghai ManufacturerUnclaimed profileDoramectinGrade, purity and minimum order on requestPrice on request
- China ManufacturerUnclaimed profileDoramectinGrade, purity and minimum order on requestPrice on request
- China, JintanUnclaimed profileDoramectinGrade, purity and minimum order on requestPrice on request
- ChinaUnclaimed profileDoramectinGrade, purity and minimum order on requestPrice on request
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Where suppliers are based
56 suppliers in 12 countries
- China30
- United States9
- Germany2
- United Kingdom2
- Hong Kong2
- Australia1
- and 6 more countries
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Doramectin price
Indicative price range per kg from live supplier offers
Suppliers quote this chemical on request. Send one free request and compare quotes side by side.
Uses and applications
What the substance is used for, by industry and function
Therapeutic category (veterinary): antiparasitic.
Control of certain gastrointestinal roundworms, lungworms, eyeworms, kidney worms, grubs, lice, and mange mites (in cattle and swine)[US FDA, Animal Drugs, Feeds, and Related Products: Doramectin. Federal Register: November 21, 1997 (Volume 62, Number 225)] [Rules and Regulations].
Veterinary medication:.
Use classes: Animal Drugs.
Industries and functions
Pharmacological actions
- Anthelmintics
- Anti-Anxiety Agents
- Anticonvulsants
- Insecticides
Functional uses
- Biocide
How it is made
S.P. Gibson et al., European patent 214,731, (corresponds to) US patent 5,089,480 (1987, 1992 both to Pfizer).
Fermentation product of a specific strain of Streptomyces avermitilis...
Regulatory status
Inventories, regulations and trade controls that list this substance
Health and food
- Active ingredient in FDA approved drug labels
HS code and trade data
Customs classification and reported world trade statistics
Global trade
World import and export statistics for the HS code Doramectin is traded under.
Lactones
- United States14.2%
- India * partner reported13.5%
- Brazil8.5%
* Partner reported figures, a lower bound.
The HS code shown for Doramectin is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.
Frequently asked questions
Quick answers about Doramectin, based on the data on this page
What is Doramectin?
What is the CAS number of Doramectin?
What is the molecular formula and weight of Doramectin?
What is Doramectin used for?
Is Doramectin hazardous?
What is the HS code of Doramectin?
Where can I buy Doramectin?
Where can I buy Doramectin in India?
What is the price of Doramectin?
Guides for buyers
Practical guides that help when you source, ship or handle Doramectin
- Article, QualityPharma grades explained: IP vs BP vs USP vs EPWhat the Indian, British, US and European pharmacopoeias are, how their monographs differ, what multi grade claims mean and why a grade alone does not make a product fit for medicines.Read
- Guide, SafetyHow to read a safety data sheet in 10 minutesA section by section method to pull the essentials out of any 16 section SDS: identity, hazards, composition, storage, PPE, properties, transport and emergency measures.Read
- Guide, SafetyGHS pictograms, signal words and hazard statements explainedA practical guide to the nine GHS pictograms, the signal words Danger and Warning, H and P statements, and how to read a chemical label in seconds.Read
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