BUTAMBEN PICRATE

Search structure
Synonyms:
Status: Approved
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: D4ZFB7ZH5Y

Structure
InChI Key ATAGSVCDFKGYPE-UHFFFAOYSA-N
Smile 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

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

Cross References

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