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SML3364

Emodepside

≥95% (HPLC)

Synonym(s):

Bay-44-4400, Cyclo[(αR)-α-hydroxy-4-(4-morpholinyl)benzenepropanoyl-N-methyl-L-leucyl-(2R)-2-hydroxypropanoyl-N-methyl-L-leucyl-(αR)-α-hydroxy-4-(4-morpholinyl)benzenepropanoyl-N-methyl-L-leucyl-(2R)-2-hydroxypropanoyl-N-methyl-L-leucyl], PF 1022-221

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About This Item

Empirical Formula (Hill Notation):
C60H90N6O14
CAS Number:
155030-63-0
Molecular Weight:
1119.39
UNSPSC Code:
51111800
NACRES:
NA.77
Assay:
≥95% (HPLC)
Form:
powder
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Quality Segment

100

assay

≥95% (HPLC)

form

powder

color

white to off-white

storage temp.

−20°C

SMILES string

N5(CCOCC5)c1ccc(cc1)C[C@H]2OC(=O)[C@@H](N(C(=O)[C@H](OC(=O)[C@@H](N(C(=O)[C@H](OC(=O)[C@@H](N(C(=O)[C@H](OC(=O)[C@@H](N(C2=O)C)CC(C)C)C)C)CC(C)C)Cc3ccc(cc3)N4CCOCC4)C)CC(C)C)C)C)CC(C)C

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

InChI key

ZMQMTKVVAMWKNY-YSXLEBCMSA-N

Biochem/physiol Actions

Cyclooctadepsipeptide anthelmintic
Emodepside is a cyclooctadepsipeptide anthelmintic a novel mode of action involving the calcium-gated potassium channel SLO-1 in C. elegans, sometimes mediated by a latrophilin (LAT) receptor.

pictograms

Health hazardExclamation mark
GHS08,GHS07

signalword

Warning

Hazard Classifications

Acute Tox. 4 Oral - Repr. 2 - STOT RE 2

target_organs

Pancreas,Adrenal gland

Storage Class

11 - Combustible Solids

wgk

WGK 3

flash_point_f

Not applicable

flash_point_c

Not applicable

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