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Substance Name: Doramectin [USAN:INN:BAN]
RN: 117704-25-3
UNII: KGD7A54H5P
InChIKey: QLFZZSKTJWDQOS-YDBLARSUSA-N

Molecular Formula

  • C50-H74-O14

Molecular Weight

  • 899.1206
 

Classification Codes

  • Anthelmintics
  • Anti-Anxiety Agents
  • Anti-Infective Agents
  • Anticonvulsants
  • Antiparasitic (Veterinary)
  • Antiparasitic Agents
  • Central Nervous System Agents
  • Central Nervous System Depressants
  • Insecticides
  • Pesticides
  • Psychotropic Drugs
  • Tranquilizing Agents
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Names and Synonyms

Name of Substance

  • Doramectin
  • Doramectin [USAN:INN:BAN]

Synonyms

  • (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-alpha-L-arabino-hexopyranosyl)-3-O-methyl-alpha-L-arabino-hexopyranoside
  • Avermectin A1a, 25-cyclohexyl-5-O-demethyl-25-de(1-methylpropyl)-
  • Doramectin
  • Doramectina
  • Doramectina [INN-Spanish]
  • Doramectine
  • Doramectine [INN-French]
  • Doramectinum
  • Doramectinum [INN-Latin]
  • EC 601-490-4
  • HSDB 7452
  • UK 67,994
  • UK 67994
  • UK-67,994
  • UNII-KGD7A54H5P

Systematic Names

  • (1'R,2S,4'S,5S,6R,8'R,10'E,12'R,13'S,14'E,20'R,21'R,24'S)-6-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)-5,11',13',22'-tetramethyl-5,6-dihydro-3',7',19'-trioxaspiro(pyran-2,6'-tetracyclo(15.6.1.14,8.020,24)pentacosane)-10',14',16',22'-tetraen-2'-one
  • Avermectin A(sub 1a), 25-cyclohexyl-5-O-demethyl-25-de(1-methylpropyl)-

Registry Numbers

CAS Registry Number

  • 117704-25-3

FDA UNII

  • KGD7A54H5P

System Generated Number

  • 0117704253

Structure Descriptors

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

Smiles

CO[C@H]1C[C@H](O[C@H]2[C@H](C)O[C@H](C[C@@H]2OC)O[C@H]3[C@@H](C)\C=C\C=C\4/CO[C@@H]5[C@H](O)C(=C[C@@H](C(=O)O[C@H]6C[C@@H](C\C=C\3/C)O[C@@]7(C6)O[C@H](C8CCCCC8)[C@@H](C)C=C7)[C@]45O)C)O[C@@H](C)[C@@H]1O