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Substance Name: Emodepside [INN]
RN: 155030-63-0
UNII: YZ647Y5GC9
InChIKey: ZMQMTKVVAMWKNY-YSXLEBCMSA-N

Note

  • Semisynthetic derivative of PF 1022A.

Molecular Weight

  • 1119.399
 
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Names and Synonyms

Name of Substance

  • Emodepside [INN]

Synonyms

  • Emodepside
  • UNII-YZ647Y5GC9

Systematic Name

  • Cyclo((R)-lactoyl-N-methyl-L-leucyl-(R)-3-(p-morpholinophenyl)lactoyl-N-methyl-L-leucyl-(R)-lactoyl-N-methyl-L-leucyl-(R)-3-(p-morpholinophenyl)lactoyl-N-methyl-L-leucyl)

Mixture Name

  • Profender

Registry Numbers

CAS Registry Number

  • 155030-63-0

FDA UNII

  • YZ647Y5GC9

System Generated Number

  • 0155030630

Structure Descriptors

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

InChIKey

ZMQMTKVVAMWKNY-YSXLEBCMSA-N

Smiles

CC(C)C[C@@H]1N(C)C(=O)[C@@H](Cc2ccc(cc2)N3CCOCC3)OC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)OC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](Cc4ccc(cc4)N5CCOCC5)OC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)OC1=O