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Pyrethrins

CAT: 0013-GTR19232289-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19232289-01Size:10 mg
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Description
Pyrethrins are natural insecticides effective against C. fatigans mosquitoes for 3-4 weeks. They are used in agricultural pest control and are studied in toxicology research, with established in vivo toxicity profiles in rats and rainbow trout from public literature.
CAS Number
8003-34-7
Smiles
CC (C) =CC1[C@@H] (C (=O) O[C@H]2CC (=O) C (C\C=C\C=C) =C2C) C1 (C) C.COC (=O) C (\C) =C\C1[C@@H] (C (=O) OC2CC (=O) C (C\C=C\C=C) =C2C) C1 (C) C
Molecular Formula
C43H56O8
Molecular Weight
700.913
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Pyrethrins

Pyrethrins, [solid] appears as colorless to white liquids (or tan dusts). Primarily a threat to the environment. Immediate steps should be taken to limit spread to the environment. Easily penetrate the soil, contaminate groundwater or nearby waterways. Toxic by inhalation, skin absorption and/or ingestion. Used as pesticide. Practically insoluble in water.

CAS Number8003-34-7
PubChem CID60202781
IUPAC Namecis-[(1S)-2-methyl-4-oxo-3-[(2Z)-penta-2,4-dienyl]cyclopent-2-en-1-yl] (1R,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylate;cis-[(1S)-2-methyl-4-oxo-3-[(2Z)-penta-2,4-dienyl]cyclopent-2-en-1-yl] (1R,3R)-3-[(E)-3-methoxy-2-methyl-3-oxoprop-1-enyl]-2,2-dimethylcyclopropane-1-carboxylate
Molecular FormulaC43H56O8
Molecular Weight700.9
Topological Polar Surface Area113
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count8
Rotatable Bond Count16
Heavy Atom Count51
Formal Charge0
Complexity1390
SMILES
CC1=C(C(=O)C[C@@H]1OC(=O)[C@@H]2[C@H](C2(C)C)C=C(C)C)C/C=C\C=C.CC1=C(C(=O)C[C@@H]1OC(=O)[C@@H]2[C@H](C2(C)C)/C=C(\C)/C(=O)OC)C/C=C\C=C
InChI
InChI=1S/C22H28O5.C21H28O3/c1-7-8-9-10-15-14(3)18(12-17(15)23)27-21(25)19-16(22(19,4)5)11-13(2)20(24)26-6;1-7-8-9-10-15-14(4)18(12-17(15)22)24-20(23)19-16(11-13(2)3)21(19,5)6/h7-9,11,16,18-19H,1,10,12H2,2-6H3;7-9,11,16,18-19H,1,10,12H2,2-6H3/b9-8-,13-11+;9-8-/t2*16-,18+,19+/m11/s1
InChIKey
VXSIXFKKSNGRRO-MXOVTSAMSA-N
Chemical Structure
2D Structure
2D structure of Pyrethrins
CAS: 8003-34-7
CID: 60202781
Formula: C43H56O8
MW: 700.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight700.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count8
Rotatable Bond Count16
Exact Mass700.39751874
Monoisotopic Mass700.39751874
Topological Polar Surface Area113 Ų
Heavy Atom Count51
Formal Charge0
Complexity1390
Isotope Atom Count0
Defined Atom Stereocenter Count6
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count3
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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