UCSF

ZINC04417041

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 28th, 2005 22 No

Popular Name: Allethrin Allethrin

Find On: PubMed — Wikipedia — Google

CAS Numbers: 22431-63-6 , 28434-00-6 , 584-79-2 , [584-79-2]

Other Names:

(+)-Allelrethonyl (+)-cis,trans-chrysanthemate; (+)-trans-Chrysanthemumic acid ester of (+-)-allethrolone; (+-)-Allerethonyl (+-)-cis,trans-chrysanthemate; (RS)-3-Allyl-2-methyl-4-oxocyclopent-2-enyl (+-)-cis,trans-chrysanthemate; (RS)-3-Allyl-2-methyl-4-

(+)-Allethronyl (+)-trans-chrysanthemumate; (S)-3-Allyl-3-methyl-4-oxocyclopent-2-enyl (+)-trans-chrysanthemate; 2,2-Dimethyl-3-(2-methyl-1-propenyl)cyclopropanecarboxylic acid 2-methyl-4-oxo-3-(2-propenyl)-2- cyclopenten-1-yl ester; 3-Allyl-2-methyl-4-ox

(-)-trans-(S)-allethrin

(-)-trans-allethrin

(1S)-2-methyl-4-oxo-3-(prop-2-en-1-yl)cyclopent-2-en-1-yl (1S,3S)-2,2-dimethyl-3-(2-methylprop-1-en-1-yl)cyclopropanecarboxylate

(1S)-3-allyl-2-methyl-4-oxocyclopent-2-en-1-yl (1S,3S)-2,2-dimethyl-3-(2-methylprop-1-en-1-yl)cyclopropanecarboxylate

2,2-dimethyl-3-(2-methyl-1-propenyl)cyclopropanecarboxylic acid 2-methyl-4-oxo-3-(2-propenyl)-2-cyclopenten-1-yl ester; 3-allyl-2-methyl-4-oxo-2-cyclopenten-1-yl chrysanthemate; 3-allyl-2-methyl-4-oxocyclopent-2-en-1-yl 2,2-dimethyl-3-(2-methylprop-1-en-1

2-methyl-4-oxo-3-(prop-2-en-1-yl)cyclopent-2-en-1-yl (1S,3S)-2,2-dimethyl-3-(2-methylprop-1-en-1-yl)cyclopropanecarboxylate

3-allyl-2-methyl-4-oxocyclopent-2-en-1-yl (1S,3S)-2,2-dimethyl-3-(2-methylprop-1-en-1-yl)cyclopropanecarboxylate

584-79-2; Allethrin; Bioallethrin; C14337; Pynamin

584-79-2; Bioallethrin (BAN); D07530; Duocide [veterinary] (TN)

Bioallethrin

Cyclopropanecarboxylic acid, 2,2-dimethyl-3-(2-methyl-1-propenyl)-, (1R)-2-methyl-4-oxo-3-(2-propenyl)-2-cyclopenten-1-yl ester. (1S.3S)-rel-; Cyclopropanecarboxylic acid, 2,2-dimethyl-3-(2-methyl-1-propenyl)-, 2-methyl-4-oxo-3-(2-propenyl)-2-cyclopenten-

MFCD00045443

QA-9599

S-Bioallethrin

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 4.73 11.89 -7.4 0 3 0 43 302.414 6 ↓

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0036385A2; EP0037375A1; EP0124404A1; EP0199945A2; EP0214936A2; EP0214936B1; EP0224024A1; EP0227046A2; EP0229191A1; EP0229191B1; EP0248348A1; EP0249015A1; EP0258666A2; EP0269739A1; EP0269739B1; EP0288810A1; EP0288810B1; EP0295790A2; EP0295790B1; EP031196 IBM Patent Data
PUBCHEM_PATENT_ID EP0120968A1; EP0233288A1; EP0269739A1; EP0269739B1; EP0775441A1; EP0906013A1; EP0925717A1; US4163038; US4171340; US4199548; US4228124; US4320139; US4448929; US4456569; US4663315; US4693868; US4800196; US4933167; US4956129; US4994261; US5120542; US5332584 IBM Patent Data
Patent Database Links EP1661886; US2007027154; US2008057068; US2008076828; WO2006055922; WO2006127024; WO2007089330; WO2008154528 ChEBI

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Analogs ( Draw Identity 99% 90% 80% 70% )