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Doramectin
Doramectin / CAS : 117704-25-3
| Appearance | White to grayish white crystalline powder | UN | 2811 |
| HS | 29322090 | DG Class | 6.1 |
| Synonyms | Doromectin; Extended Von Baeyer Nomenclature: (10E,14E,16E)-(1R,4S,5’S,6S,6’R,8R,12S,13S,20R,21R,24S)-6’-Cyclohexyl-21,24-Dihydroxy-5’,11,13,22-Tetramethyl-2-Oxo-(3,7,19-Trioxatetracyclo[15.6.1.14,8.020,24]Pentacosa-10,14,16,22-Tetraene)-6-Spiro-2’-(5’,6’-Dihydro-2’H-Pyran)-12-Yl 2,6-Dideoxy-4-O-(2,6-Dideoxy-3-O-Methyl-α-L-Arabino-Hexopyranosyl)-3-O-Methyl-α-L-Arabino-Hexopyranoside; 25-Cyclohexyl-Avermectin B1; Dongguai.P.E; 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; Dectoma; Dectomax; 25-Cyclohexyl-5-O-Demethyl-25-De(1-Methylpropyl)Avermectin A1A; 25-Cyclohexyl-5-O-Demethyl-25-De(1-Methylpropyl)Avermectin; 25-Cclohexyl-Avermectin B1; Uk-67994; Avermectin A1A, 25-Cyclohexyl-5-O-Demethyl-25-De(1-Methylpropyl)- | ||
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Properties
Summary
Formula
C50H74O14
Molecular Mass
899.11400
Exact Mass
898.50800
PSA
170.06000
Logp
5.91160
IUPAC
(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
SMILES
CC1C=CC=C2COC3C2(C(C=C(C3O)C)C(=O)OC4CC(CC=C(C1OC5CC(C(C(O5)C)OC6CC(C(C(O6)C)O)OC)OC)C)OC7(C4)C=CC(C(O7)C8CCCCC8)C)O
Attribute classification
Matter Classification
organic
Category
API & Intermediate > Antiparasitic Drugs
Chemical and Physical Properties
Melting Point
116 - 119ºC
Density
1.25 g/cm3
Boiling Point
967.4ºC
Appearance
White to grayish white crystalline powder
Acidity and Basicity
neutral
Export information
HS Code
29322090
Export Rebate
13%
UN No.
2811
DG-Class
6.1
Risk Code
R25-50/53-36/37/38
Safety Label
T,N,Xi
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