57Hbp7xks9
[2-[4-[[4-[benzyl(ethyl)amino]phenyl]diazenyl]anilino]-2-oxoethyl]-triethylazanium
Molecular Identity
57Hbp7xks9
[2-[4-[[4-[benzyl(ethyl)amino]phenyl]diazenyl]anilino]-2-oxoethyl]-triethylazanium
PubChem CID: 46191477
2D Structure
Properties
C29H38N5O+
Molecular Formula
472.60
Molecular Weight
g/mol
472.3076
Exact Mass
Da
6
XLogP
Above Lipinski threshold
57.1
TPSA
Good oral absorption (< 140 A²)
1
H-Bond Donors
4
H-Bond Acceptors
619
Complexity
SMILES
Canonical SMILES
SMILES: CCN(CC1=CC=CC=C1)C2=CC=C(C=C2)N=NC3=CC=C(C=C3)NC(=O)C[N+](CC)(CC)CCIsomeric SMILES
SMILES: CCN(CC1=CC=CC=C1)C2=CC=C(C=C2)N=NC3=CC=C(C=C3)NC(=O)C[N+](CC)(CC)CCSynonyms(11)
KIO-301KIO-301, trans-57HBP7XKS9KIO-301, (E)-UNII-57HBP7XKS91224953-72-3N,N,N-Triethyl-2-((4-(2-(4-(ethyl(phenylmethyl)amino)phenyl)diazenyl)phenyl)amino)-2-oxoethanaminium, (E)-N,N,N-Triethyl-2-[[4-[2-[4-[ethyl(phenylmethyl)amino]phenyl]diazenyl]phenyl]amino]-2-oxoethanaminium, (E)-CHEMBL4796560SCHEMBL12414797SCHEMBL16790927
Data from PubChem (NCBI)
This platform is for informational purposes only and does not constitute medical advice. Always consult a qualified healthcare professional.
Drug Network
Trials and conditions connected to 57Hbp7xks9
Loading drug network...