General Information of the Compound
Compound ID
CP0225648
Compound Name
Benzonatate
    Show/Hide
Synonyms
2,5,8,11,14,17,20,23,26-Nonaoxaoctacosan-28-yl p-(butylamino)benzoate
2,5,8,11,14,17,20,23,26-nonaoxaoctacosan-28-yl 4-(butylamino)benzoate
2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 4-(butylamino)benzoate
2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 4-butylaminobenzoate
3,6,9,12,15,18,21,24,27-Nonaoxaoctacos-1-yl 4-(butylamino)benzoate
3,6,9,12,15,18,21,24,27-nonaoxaoctacosyl 4-butylaminobenzoate
4-(butylamino)benzoic acid 3,6,9,12,15,18,21,24,27-nonaoxaoctacos-1-yl ester
Benzoic acid, 4-(butylamino)-, 2,5,8,11,14,17,20,23,26-nonaoxaoctacos-28-yl ester
Benzoic acid, 4-(butylamino)-, 3,6,9,12,15,18,21,24,27-nonaoxaoctacos-1-yl ester
Benzoic acid, 4-(butylamino)-, 3,6,9,12,15,18,21,24,27-nonaoxaoctacos-1-yl ester (9CI)
Benzoic acid, p-(butylamino)-, 2-(2-(2-(2-(2-(2-(2-(2-(2-methoxyethoxy)ethoxy)ethoxy)ethoxy)ethoxy)ethoxy)ethoxy)ethoxy)ethyl ester
Benzonatate
Benzonatate (USP/INN)
Benzonatate [USAN:INN:BAN];Nonaethyleneglycol monomethyl ether p-n-butylaminobenzoate
Benzonatato
Benzonatato [INN-Spanish]
Benzonatatum
Benzonatatum [INN-Latin]
Benzononantin
Benzononatine
Exangit
KM65
P-(n)-Butylaminobenzoesaeure-(nonaaethylenglykol-monomethylaether)-ester
P-(n)-Butylaminobenzoesaeure-(nonaaethylenglykol-monomethylaether)-ester [German]
P-butylaminobenzoic acid omega-O-methylnonaethyleneglycol ester
Polyethyleneglycol-p-n-butylaminobenzoate methyl ester
Tesalon
Tessalin
Tessalon
Tessalon Capsules (TN)
Tessalon Perles
Tessalon Perles (TN)
Tessalon perles (TN)
Tessalon-ciba
Ventussin
Ventussin-loz
    Show/Hide
Structure
Formula
C30H53NO11
Molecular Weight
603.75
Canonical SMILES
CCCCNc1ccc(cc1)C(=O)OCCOCCOCCOCCOCCOCCOCCOCCOCCOC
    Show/Hide
InChI
InChI=1S/C30H53NO11/c1-3-4-9-31-29-7-5-28(6-8-29)30(32)42-27-26-41-25-24-40-23-22-39-21-20-38-19-18-37-17-16-36-15-14-35-13-12-34-11-10-33-2/h5-8,31H,3-4,9-27H2,1-2H3
    Show/Hide
InChIKey
MAFMQEKGGFWBAB-UHFFFAOYSA-N
CAS
104-31-4
Physicochemical Property
logP
2.8346
Rotatable Bonds
32
Heavy Atom Count
42
Polar Areas
121.4
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
12
Complexity
42

"RO5" indicates the cutoff set by lipinski's rule of five:

(1) Molecular weight less than 500 Dalton;

(2) xlogp less than 5;

(3) No more than 5 hbonddonor (Hydrogen Bond Donor Count);

(4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count);

(5) No more than 10 rotbonds (Rotatable Bond Count).

    Show/Hide
Click to Show/Hide the External Link(s) of This Compound
PubChem ID
CID: 7699
SID: 16738876
ChEMBL ID
CHEMBL1374379
DrugBank ID
DB00868
Map of Molecular Bioactivity Related to the Compound
Map of Molecular Bioactivity Related to the Compound

Compound
Cell Line
Protein

Bioactivity Value:

<= 0.1 μM
> 0.1 μM and <= 10 μM
> 10 μM
Imprecise Activity
Table of Molecular Bioactivities Related to the Compound
Protein ID: PT06109, Geminin
 Protein Info 
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000015 SW480
 Cell Line Info 
Homo sapiens (Human)  1
1
Potency ~ 631 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
Protein ID: PT02997, Isocitrate dehydrogenase [NADP] cytoplasmic
 Protein Info 
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000156 HT-1080
 Cell Line Info 
Homo sapiens (Human)  1
1
Potency ~ 29092.9 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( Benzonatate )
Drug Name Benzonatate
Indication
Cough
Approved
Target(s)
Voltage-gated sodium channel alpha Nav1.5 (SCN5A)
 Target Info 
Blocker