BUTAMBEN PICRATE

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Synonyms
Status
Molecule Category Salt-form
UNII D4ZFB7ZH5Y

Structure

InChI Key ATAGSVCDFKGYPE-UHFFFAOYSA-N
Smiles CCCCOC(=O)c1ccc(N)cc1.CCCCOC(=O)c1ccc(N)cc1.O=[N+]([O-])c1cc([N+](=O)[O-])c(O)c([N+](=O)[O-])c1
InChI
InChI=1S/2C11H15NO2.C6H3N3O7/c2*1-2-3-8-14-11(13)9-4-6-10(12)7-5-9;10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h2*4-7H,2-3,8,12H2,1H3;1-2,10H

Physicochemical Descriptors

Property Name Value
Molecular Formula C28H33N5O11
Molecular Weight 615.6
AlogP 2.23
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 4.0
Polar Surface Area 52.32
Molecular species NEUTRAL
Aromatic Rings 1.0
Heavy Atoms 14.0

Pharmacology

Mechanism of Action Action Reference
Transient receptor potential cation channel subfamily A member 1 inhibitor INHIBITOR PubMed PubMed PubMed PubMed PubMed PubMed PubMed PubMed PubMed PubMed

Target Conservation

Protein: Transient receptor potential cation channel subfamily A member 1
Description: Transient receptor potential cation channel subfamily A member 1
Organism : Homo sapiens
O75762 ENSG00000104321

Cross References

Resources Reference
ChEBI 86300
ChEMBL CHEMBL3142541
FDA SRS D4ZFB7ZH5Y
PubChem 9960605
SureChEMBL SCHEMBL339138
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