Products for Research Use Only
RegisterLogin

3,4-Epoxy-moxidectin

CAT: 0572-TRC-E589045-2.5MGSize: 2.5 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0572-TRC-E589045-2.5MGSize:2.5 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
CAS Number
1402163-94-3
Synonyms
(3R,4S,6R,23E,25S)-5-O-Demethyl-28-deoxy-25-[(1E)-1,3-dimethyl-1-buten-1-yl]-3,4:6,28-diepoxy-3,4-dihydro-23-(methoxyimino)milbemycin B
Hazard Statement
Toxic if swallowed; UN number: UN2811; Packing Group: III
Smiles
C/C1=C\C([H])C2C[C@](C[C@]3(C/C([C@H](C)[C@@H](/C(C)=C/C(C)C)O3)=N\OC)O2)([H])OC([C@]4([H])[C@@H](O5)[C@]5(C)[C@@H](O)[C@](OC/6)([H])[C@@]4(O)C6=C\C=C\[C@H](C)C1)=O
Molecular Formula
C37H53NO9
Molecular Weight
655.82
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

3,4-Epoxy-moxidectin
CAS Number1402163-94-3
PubChem CID171042830
IUPAC Name(1R,4S,4'Z,5'S,6R,6'S,10Z,13R,14Z,20R,21S,22S,24R,25S)-21,25-dihydroxy-4'-methoxyimino-5',11,13,22-tetramethyl-6'-[(E)-4-methylpent-2-en-2-yl]spiro[3,7,19,23-tetraoxapentacyclo[15.7.1.14,8.020,25.022,24]hexacosa-10,14,16-triene-6,2'-oxane]-2-one
Molecular FormulaC37H53NO9
Molecular Weight655.8
XLogP3.7
Topological Polar Surface Area129
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count10
Rotatable Bond Count3
Heavy Atom Count47
Formal Charge0
Complexity1380
SMILES
C[C@@H]/1C/C(=C\CC2C[C@@H](C[C@@]3(O2)C/C(=N/OC)/[C@@H]([C@H](O3)/C(=C/C(C)C)/C)C)OC(=O)[C@@H]4[C@@H]5[C@@](O5)([C@H]([C@@H]6[C@]4(C(=C/C=C1)CO6)O)O)C)/C
InChI
InChI=1S/C37H53NO9/c1-20(2)14-23(5)30-24(6)28(38-42-8)18-36(46-30)17-27-16-26(45-36)13-12-22(4)15-21(3)10-9-11-25-19-43-33-31(39)35(7)32(47-35)29(34(40)44-27)37(25,33)41/h9-12,14,20-21,24,26-27,29-33,39,41H,13,15-19H2,1-8H3/b10-9-,22-12-,23-14+,25-11?,38-28-/t21-,24-,26?,27-,29-,30+,31-,32+,33+,35-,36-,37+/m0/s1
InChIKey
NRMIMVNNJHFYQY-WVNMOWNYSA-N
Chemical Structure
2D Structure
2D structure of 3,4-Epoxy-moxidectin
CAS: 1402163-94-3
CID: 171042830
Formula: C37H53NO9
MW: 655.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight655.8
XLogP33.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count10
Rotatable Bond Count3
Exact Mass655.37203227
Monoisotopic Mass655.37203227
Topological Polar Surface Area129 Ų
Heavy Atom Count47
Formal Charge0
Complexity1380
Isotope Atom Count0
Defined Atom Stereocenter Count11
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count4
Undefined Bond Stereocenter Count1
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Related Products

CatalogName
TRC-E589243-50MG14,15-Epoxy-moxidectin (>85%)
TRC-E589248-1MG8,9-Epoxy-moxidectin (>90%)
TRC-E589243-100MG14,15-Epoxy-moxidectin (>85%)
TRC-E589248-2.5MG8,9-Epoxy-moxidectin (>90%)
TRC-E589248-5MG8,9-Epoxy-moxidectin (>90%)
TRC-E589243-250MG14,15-Epoxy-moxidectin (>85%)
TRC-D293860-2.5MG2,3-Dehydro-3,4-dihydro Moxidectin
TRC-M744800-25MGMoxidectin
TRC-M744800-10MGMoxidectin
TRC-M744800-50MGMoxidectin

Alternative Products

CatalogName
427160-013,4-Epoxy-moxidectin
E014253,4-Epoxy-6-methylcyclohexylmethyl-3,4-epoxy-6-methylcyclohexanecarboxylate
B3611-25Moxidectin

Popular Products