Primary record
Emodepside
- CAS
- 155030-63-0
- PubChem CID
- 6918632
- SMILES
- C[C@@H]1C(=O)N([C@H](C(=O)O[C@@H](C(=O)N([C@H](C(=O)O[C@@H](C(=O)N([C@H](C(=O)O[C@@H](C(=O)N([C@H](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
- Molecular Formula
- C60H90N6O14
- Molecular Weight
- 1119.408
- Exact Mass
- 1118.6515
- 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
- LogP
- 5.338
- TPSA
- 211.38
Names and synonyms
- Emodepside
- emodepsida
- emodepsidum
- Profender
- Emodepside [INN]
- 155030-63-0
- Bay-44-4400
- AC1OCFNV
- UNII-YZ647Y5GC9
- EMODEPSIDE [MI]
- RefChem:57164
- EMODEPSIDE [USAN]
- YZ647Y5GC9
- BAY 44-4400
- CHEBI:78739
- SCHEMBL167580
- DTXSID50165799
- PROCOX COMPONENT EMODEPSIDE
- Emodepside - Bio-X trade mark
- orb1299399
- EMODEPSIDE [GREEN BOOK]
- CHEMBL2104404
- DTXCID6088290
- PF-1022-221
- PROFENDER COMPONENT EMODEPSIDE
- MFCD09837720
- ZMQMTKVVAMWKNY-YSXLEBCMSA-N
- C60H90N6O14
- BBF-05781
- AKOS040759291