BGC > Product Search > Emodepside

Molecular Formula: C60H90N6O14
Molecular Weight: 1119.4

Description :
Emodepside, also known as PF 1022-221, a semisynthetic derivative of PF1022A, is efficacious against a variety of gastrointestinal nematodes and used as an anthelmintic drug with broad-spectrum anthelmintic activity. Emodepside is an octapeptide drug that has been approved for use in cats.

• Molecular Weight :1119.39
• Boiling Point :1219.3±65.0°C(Predicted)
• Melting Point :155°C
• Purity :≥95%

Molecular Formula :
C60H90N6O14
Canonical SMILES :
CC1C(=O)N(C(C(=O)OC(C(=O)N(C(C(=O)OC(C(=O)N(C(C(=O)OC(C(=O)N(C(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
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
InChIKey :
ZMQMTKVVAMWKNY-YSXLEBCMSA-N
Solubility :
Soluble in DMSO (50 mM), Methyl Ethyl Ketone (50 mg/ml)
Appearance :
White Solid
Storage : Store at 2-8°C
Synonyms :
BAY 44-4400; BAY44-4400; BAY-44-4400; BAY 444400; BAY444400; BAY-444400; cyclo[N(Me)Leu-D-OAla-N(Me)Leu-D-OPhe(morpholino)-N(Me)Leu-D-OAla-N(Me)Leu-D-OPhe(morpholino)]; cyclo[N-methyl-L-leucyl-N-oxa-D-alanyl-N-methyl-L-leucyl-N-oxa-4-morpholino-D-phenylalanyl-N-methyl-L-leucyl-N-oxa-D-alanyl-N-methyl-L-leucyl-N-oxa-4-morpholino-D-phenylalanyl]

More details are to be found here

Purity : 97%
Smile code : C[C@@H]1C(N(C)[C@@H](CC(C)C)C(O[C@H](CC2=CC=C(N3CCOCC3)C=C2)C(N(C)[C@@H](CC(C)C)C(O[C@H](C)C(N(C)[C@@H](CC(C)C)C(O[C@H](CC4=CC=C(N5CCOCC5)C=C4)C(N(C)[C@@H](CC(C)C)C(O1)=O)=O)=O)=O)=O)=O)=O)=O
MDL Number : MFCD09837720
MolFormula : C60H90N6O14
MolWeight : 1119.3884
Available in stock : 0.774

More details are to be found here