25-Cyclohexyl-5-O-demethyl-25-de(1-methylpropyl)avermectin A1a

Basic Information

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CAS Number

117704-25-3

Molecular Formula

C50H74O14

Molecular Weight

899.13 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Esters

Basic Chemical Raw Materials Organic Chemicals Ethers

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Surfactants Anionic Surfactants

Polymers and Plastics Thermoplastics Polyolefins

Laboratory Chemicals Research Chemicals Biochemical Reagents

Basic Physical Properties

Melting Point

162-168°C

Boiling Point

967.4°C at 760 mmHg

Density

1.25

Flash Point

967.4 °C at 760 mmHg

Solubility

methanol: soluble

Refractive Index

1.579

SMILES

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CO[C@H]1C[C@@H](O[C@H]([C@@H]1O[C@H]1C[C@H](OC)[C@H]([C@@H](O1)C)O)C)O[C@H]1[C@@H](C)/C=C/C=C/2\CO[C@H]3[C@]2(O)[C@@H](C=C([C@H]3O)C)C(=O)O[C@H]2C[C@@H](C/C=C/1\C)O[C@]1(C2)C=C[C@@H]([C@H](O1)C1CCCCC1)C

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

InChIKey

QLFZZSKTJWDQOS-YDBLARSUSA-N

LogP

5.911600000000007

Topological Polar Surface Area

170.06 Å²

Hydrogen Bond Donor/Acceptor

3 / 14

Complexity

1790

Safety Information

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Hazard Statement

H301 Toxic if swallowed
Acute toxicity, oral

H410 Very toxic to aquatic life with long lasting effects
Hazardous to the aquatic environment, long-term hazard

Hazard Class

Class 6.1 Class 6.1

Synonyms & References

English

Doramectin
25-CYCLOHEXYL-5-O-DEMETHYL-25-DE(1-METHYLPROPYL)AVERMECTIN
Doramectin VETRANAL
Doromectin
bridged fused ring systems nomenclature: (2aE,4E,8E)-(5’S,6S,6’R,7S,11R,13S,15S,17aR,20R,20aR,20bS)-6’-cyclohexyl-5’,6,6’,7,10,11,14,15,17a,20,20a,20b-dodecahydro-20,20b-dihydroxy-5’,6,8,19-tetramethyl-17-oxospiro[11,15-methano-2H,13H,17H-furo[4,3,2-pq][2,6]benzodioxacyclooctadecin-13,2’-[2H]pyran]-7-yl 2,6-dideoxy-4-O-(2,6-dideoxy-3-O-methyl-α-L-arabino-hexopyranosyl)-3-O-methyl-α-L-arabino-hexopyranoside
DONGGUAI
Spiro[11,15-methano-2H,13H,17H-furo[4,3,2-pq][2,6]benzodioxacyclooctadecin-13,2'-[2H]pyran],avermectin A1a deriv.
25-Cyclohexylavermectin B1
Dectomax
L701023
UK 67994
KGD7A54H5P
Doramectinum [INN-Latin]
Doramectine [INN-French]
Doramectina [INN-Spanish]
Doramectin [USAN:INN:BAN]
Doramectine
Doramectinum
Doramectina
C50H74O14
UK 67,994
Cyclohexylavermectin B1
DSSTox_RID_83176
DSSTox_CID_28908
DSSTox_GSID_48982
Avermectin A(sub 1a), 25-cycloh
25-Cyclohexyl-5-O-demethyl-25-de(1-methylpropyl)avermectin A1a

MDL Number

MFCD00894747

FAQ

What is 25-Cyclohexyl-5-O-demethyl-25-de(1-methylpropyl)avermectin A1a (CAS: 117704-25-3)?

25-Cyclohexyl-5-O-demethyl-25-de(1-methylpropyl)avermectin A1a (CAS: 117704-25-3) is a derivative of avermectin, a class of macrocyclic lactones originally derived from soil bacteria. It features a modified structure with a cyclohexyl group and a 1-methylpropyl side chain. This compound is primarily known for its potential biological activity and is used in research settings to study parasiticidal properties and related mechanisms.

What are the main uses of 25-Cyclohexyl-5-O-demethyl-25-de(1-methylpropyl)avermectin A1a (CAS: 117704-25-3)?

25-Cyclohexyl-5-O-demethyl-25-de(1-methylpropyl)avermectin A1a (CAS: 117704-25-3) is mainly used in pharmaceutical research to explore its antiparasitic and anthelmintic properties. It may also serve as a lead compound for developing new drugs targeting nematodes and other parasitic organisms. Additionally, it is studied in chemical and biological research for its structural characteristics and potential therapeutic applications.

Is 25-Cyclohexyl-5-O-demethyl-25-de(1-methylpropyl)avermectin A1a (CAS: 117704-25-3) safe?

25-Cyclohexyl-5-O-demethyl-25-de(1-methylpropyl)avermectin A1a (CAS: 117704-25-3) is generally considered safe when handled properly in controlled laboratory environments. However, as with many chemical compounds, it should be used with caution, and protective measures such as gloves and ventilation should be taken. Safety data is limited, so it is recommended to follow standard chemical safety protocols and consult regulatory guidelines for proper handling.

How should 25-Cyclohexyl-5-O-demethyl-25-de(1-methylpropyl)avermectin A1a (CAS: 117704-25-3) be stored?

25-Cyclohexyl-5-O-demethyl-25-de(1-methylpropyl)avermectin A1a (CAS: 117704-25-3) should be stored in a cool, dry, and dark place, away from moisture and light. It is typically kept in a sealed container at a temperature below 25°C. Proper storage helps maintain its chemical stability and prevents degradation, ensuring consistent quality for research and pharmaceutical applications.