U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ABSOLUTE
Molecular Formula C19H26O3
Molecular Weight 302.4079
Optical Activity UNSPECIFIED
Defined Stereocenters 3 / 3
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of BIOALLETHRIN, (S)-

SMILES

CC(C)=C[C@@H]1[C@@H](C(=O)O[C@H]2CC(=O)C(CC=C)=C2C)C1(C)C

InChI

InChIKey=ZCVAOQKBXKSDMS-PVAVHDDUSA-N
InChI=1S/C19H26O3/c1-7-8-13-12(4)16(10-15(13)20)22-18(21)17-14(9-11(2)3)19(17,5)6/h7,9,14,16-17H,1,8,10H2,2-6H3/t14-,16+,17+/m1/s1

HIDE SMILES / InChI

Molecular Formula C19H26O3
Molecular Weight 302.4079
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 3 / 3
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Fri Dec 15 19:14:46 GMT 2023
Edited
by admin
on Fri Dec 15 19:14:46 GMT 2023
Record UNII
GFF4AL7FRM
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
BIOALLETHRIN, (S)-
Common Name English
ESDEPALLETHRINE
WHO-DD  
Common Name English
S-BIOALLETHRIN
Common Name English
CYCLOPROPANECARBOXYLIC ACID, 2,2-DIMETHYL-3-(2-METHYL-1-PROPEN-1-YL)-, (1S)-2-METHYL-4-OXO-3-(2-PROPEN-1-YL)-2-CYCLOPENTEN-1-YL ESTER, (1R,3R)-
Systematic Name English
Esdepallethrine [WHO-DD]
Common Name English
ESBIOL TG
Common Name English
CYCLOPROPANECARBOXYLIC ACID, 2,2-DIMETHYL-3-(2-METHYLPROPENYL)-, (+)-(E)-, ESTER WITH (+)-2-ALLYL-4-HYDROXY-3-METHYL-2-CYCLOPENTEN-1-ONE
Common Name English
D-TRANSALLETHRIN
Common Name English
RU-16121
Code English
ESBIOL
Common Name English
ALLETHRIN, D-TRANS-
Common Name English
ESBIOALLETHRIN
Common Name English
(S)-3-ALLYL-2-METHYL-4-OXOCYCLOPENT-2-ENYL (1R,3R)-2,2-DIMETHYL-3-(2-METHYLPROP-1-ENYL)CYCLOPROPANECARBOXYLATE
Systematic Name English
Classification Tree Code System Code
EPA PESTICIDE CODE 4004
Created by admin on Fri Dec 15 19:14:47 GMT 2023 , Edited by admin on Fri Dec 15 19:14:47 GMT 2023
Code System Code Type Description
ECHA (EC/EINECS)
249-013-5
Created by admin on Fri Dec 15 19:14:47 GMT 2023 , Edited by admin on Fri Dec 15 19:14:47 GMT 2023
PRIMARY
MESH
C018465
Created by admin on Fri Dec 15 19:14:47 GMT 2023 , Edited by admin on Fri Dec 15 19:14:47 GMT 2023
PRIMARY
CAS
28434-00-6
Created by admin on Fri Dec 15 19:14:46 GMT 2023 , Edited by admin on Fri Dec 15 19:14:46 GMT 2023
PRIMARY
EVMPD
SUB13717MIG
Created by admin on Fri Dec 15 19:14:46 GMT 2023 , Edited by admin on Fri Dec 15 19:14:46 GMT 2023
PRIMARY
RXCUI
324005
Created by admin on Fri Dec 15 19:14:47 GMT 2023 , Edited by admin on Fri Dec 15 19:14:47 GMT 2023
PRIMARY
EPA CompTox
DTXSID2039336
Created by admin on Fri Dec 15 19:14:47 GMT 2023 , Edited by admin on Fri Dec 15 19:14:47 GMT 2023
PRIMARY
CHEBI
39115
Created by admin on Fri Dec 15 19:14:46 GMT 2023 , Edited by admin on Fri Dec 15 19:14:46 GMT 2023
PRIMARY
FDA UNII
GFF4AL7FRM
Created by admin on Fri Dec 15 19:14:47 GMT 2023 , Edited by admin on Fri Dec 15 19:14:47 GMT 2023
PRIMARY
SMS_ID
100000078979
Created by admin on Fri Dec 15 19:14:47 GMT 2023 , Edited by admin on Fri Dec 15 19:14:47 GMT 2023
PRIMARY
PUBCHEM
62829
Created by admin on Fri Dec 15 19:14:47 GMT 2023 , Edited by admin on Fri Dec 15 19:14:47 GMT 2023
PRIMARY
Related Record Type Details
ACTIVE MOIETY