Emodepside
Also known as emodepsida, Bay-44-4400, emodepsidum
Key facts
What buyers check first
- CAS number
- 155030-63-0
- Formula
- C60H90N6O14
- Molar mass
- 1,119.41 g/mol
- EC number
- 604-993-7
- HS code
- 293499
- Category
- Antibiotics and anti-infectives
What is Emodepside?
Plain description, key identifiers and synonyms
Emodepside is a cyclooctadepsipeptide consisting of D-lactoyl, N-methyl-L-leucyl, 3-[4-(4-morpholinyl)phenyl]-D-lactoyl, N-methyl-L-leucyl, D-lactoyl, N-methyl-L-leucyl, 3-[4-(4-morpholinyl)phenyl]-D-lactoyl, and N-methyl-L-leucyl residues joined in sequence to give a 24-membered macrocycle. An anthelmintic, it is used with praziquantel for the treatment and control of hookworm, roundworm and tapeworm infections in cats. It has a role as an antinematodal drug. It is a semisynthetic derivative and a cyclooctadepsipeptide.
Identifiers
Registry numbers, names and line notations, tap to copy
- IUPAC name
- (3S,6R,9S,12R,15S,18R,21S,24R)-4,6,10,16,18,22-hexamethyl-3,9,15,21-tetrakis(2-methylpropyl)-12,24-bis[(4-morpholin-4-ylphenyl)methyl]-1,7,13,19-tetraoxa-4,10,16,22-tetrazacyclotetracosane-2,5,8,11,14,17,20,23-octone
- CAS number
- 155030-63-0 CAS number cross-checked
- EC number
- 604-993-7
- Molecular formula
- C60H90N6O14
- UNII
- YZ647Y5GC9
- MDL number
- MFCD09837720
- InChIKey
- ZMQMTKVVAMWKNY-YSXLEBCMSA-N
- InChI
- InChI=1S/C60H90N6O14/c1-37(2)31-47-57(71)77-41(9)53(67)61(11)50(34-40(7)8)60(74)80-52(36-44-17-21-46(22-18-44)66-25-29-76-30-26-66)56(70)64(14)48(32-38(3)4)58(72)78-42(10)54(68)62(12)49(33-39(5)6)59(73)79-51(55(69)63(47)13)35-43-15-19-45(20-16-43)65-23-27-75-28-24-65/h15-22,37-42,47-52H,23-36H2,1-14H3/t41-,42-,47+,48+,49+,50+,51-,52-/m1/s1
- Canonical SMILES
- CC(C)CC1C(=O)OC(Cc2ccc(N3CCOCC3)cc2)C(=O)N(C)C(CC(C)C)C(=O)OC(C)C(=O)N(C)C(CC(C)C)C(=O)OC(Cc2ccc(N3CCOCC3)cc2)C(=O)N(C)C(CC(C)C)C(=O)OC(C)C(=O)N1C
- Isomeric SMILES
- C[C@@H]1C(=O)N([C@H](C(=O)O[C@@H](C(=O)N([C@H](C(=O)O[C@@H](C(=O)N([C@H](C(=O)O[C@@H](C(=O)N([C@H](C(=O)O1)CC(C)C)C)CC2=CC=C(C=C2)N3CCOCC3)CC(C)C)C)C)CC(C)C)C)CC4=CC=C(C=C4)N5CCOCC5)CC(C)C)C
Synonyms
- emodepsida
- Bay-44-4400
- emodepsidum
- BAY 44-4400
- Procox component emodepside
- PF 1022-221
- Profender component emodepside
- Emodepside - Bio-X trade mark
- Emodepside component of procox
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
No measured properties are recorded for this substance yet. Ask suppliers for a technical data sheet.
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 | 1,119.41 g/molcalc.Computed value |
|---|---|
| Exact mass | 1,118.6515 Dacalc.Computed value |
| LogP (octanol/water) | 5.34calc.Computed value |
| Topological polar surface area | 211.4 ร
ยฒcalc.Computed value |
| Hydrogen bond donors | 0calc.Computed value |
| Hydrogen bond acceptors | 16calc.Computed value |
| Rotatable bonds | 14calc.Computed value |
| Heavy atoms | 80calc.Computed value |
| Rings | 5calc.Computed value |
| Aromatic rings | 2calc.Computed value |
| Fraction sp3 carbons | 0.67calc.Computed value |
| Formal charge | 0calc.Computed value |
| Stereocentres | 8calc.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=C1COC(=O)CNC(=O)C(Cc2ccc(N3CCOCC3)cc2)OC(=O)CNC(=O)COC(=O)CNC(=O)C(Cc2ccc(N3CCOCC3)cc2)OC(=O)CN1
5 rings, 58 atoms.
1 other chemical share this scaffoldSafety and hazards
GHS classification summary, not a safety data sheet
Hazard statements
- H302Harmful if swallowed.
- 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 (9)
- P260Do not breathe dust, fume, gas, mist, vapours or spray.
- P264Wash skin thoroughly after handling.
- P270Do not eat, drink or smoke when using this product.
- P273Avoid release to the environment.
- P301 + P317If swallowed: Get medical help.
- P319Get medical help if you feel unwell.
- P330Rinse mouth.
- P391Collect spillage.
- 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 aidEmodepside suppliers
Sponsored listings first, then the documented ranking: membership, verification, replies, completeness, freshness and ratings
- Hong Kong ManufacturerUnclaimed profileEmodepsideGrade, purity and minimum order on requestPrice on request
- China, Wuxi ManufacturerUnclaimed profileEmodepsideGrade, purity and minimum order on requestPrice on request
- China, FuzhouUnclaimed profileEmodepsideGrade, purity and minimum order on requestPrice on request
- China, Suzhou ManufacturerUnclaimed profileEmodepsideGrade, purity and minimum order on requestPrice on request
- Price on request
- China ManufacturerUnclaimed profileEmodepsideGrade, purity and minimum order on requestPrice on request
- Price on request
- Hong Kong, Hong Kong ManufacturerUnclaimed profileEmodepsideGrade, purity and minimum order on requestPrice on request
Suppliers marked Unclaimed profile have not claimed their profile yet. They are not verified by CompoundList, their offers are price on request and details may have changed, so please confirm them with the supplier. Company representatives can claim a profile with a business email on the company's own website domain. Our team verifies each claim and sends the result by email.
Where suppliers are based
8 suppliers in 2 countries
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Emodepside 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
Use classes: Animal Drugs.
Pharmacological actions
- Antiparasitic Agents
Roles
- anthelminthic drug
- antiinfective agent
- antinematodal drug
- antiparasitic agent
- nematicide
- pesticide
- pharmaceutical
Regulatory status
Inventories, regulations and trade controls that list this substance
No regulatory list memberships are recorded for this substance yet. Always check the rules of the importing and exporting country before trade.
HS code and trade data
Customs classification and reported world trade statistics
Global trade
World import and export statistics for the HS code Emodepside is traded under.
Nucleic acids and their salts, other heterocyclic compounds, not elsewhere classified in heading 2934
- United States24.5%
- Germany23.1%
- Japan4.5%
The HS code shown for Emodepside is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.
Frequently asked questions
Quick answers about Emodepside, based on the data on this page
What is Emodepside?
What is the CAS number of Emodepside?
What is the molecular formula and weight of Emodepside?
What is Emodepside used for?
Is Emodepside hazardous?
What is the HS code of Emodepside?
Where can I buy Emodepside?
What is the price of Emodepside?
Guides for buyers
Practical guides that help when you source, ship or handle Emodepside
- 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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