Details of the Drug

General Information of Drug (ID: DM584TM)

Drug Name

Butacaine

Synonyms

Butacaine sulfate; Butelline; Butyn; 149-15-5; Butacaine sulphate; Butacaine sulfate [USP]; UNII-PAU39W3CVB; EINECS 205-733-1; PAU39W3CVB; p-Aminobenzoyldibutylaminopropanol sulfate; Dibutylaminopropyl p-aminobenzoate sulfate; AI3-02405; 3'-Dibutylaminopropyl 4-aminobenzoate sulfate; 1-Propanol, 3-(dibutylamino)-, 4-aminobenzoate (ester), sulfate (2:1) (salt); 3-(p-Aminobenzoxy)-1-di-N-butylaminopropane sulfate; 3-(Dibutylamino)-1-propanol p-aminobenzoate (ester) sulfate (2:1)

Indication

Disease Entry	ICD 11	Status	REF
Pain	MG30-MG3Z	Approved	[1]
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Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 1

Molecular Weight (mw)

306.4

Logarithm of the Partition Coefficient (xlogp)

4.5

Rotatable Bond Count (rotbonds)

Hydrogen Bond Donor Count (hbonddonor)

Hydrogen Bond Acceptor Count (hbondacc)

Chemical Identifiers

Formula: C18H30N2O2
IUPAC Name: 3-(dibutylamino)propyl 4-aminobenzoate
Canonical SMILES: CCCCN(CCCC)CCCOC(=O)C1=CC=C(C=C1)N
InChI: InChI=1S/C18H30N2O2/c1-3-5-12-20(13-6-4-2)14-7-15-22-18(21)16-8-10-17(19)11-9-16/h8-11H,3-7,12-15,19H2,1-2H3
InChIKey: HQFWVSGBVLEQGA-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 2480
ChEBI ID: CHEBI:94820
CAS Number: 149-16-6
UNII: Z84S23CGJJ
DrugBank ID: DB11502
TTD ID: D06ORU

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Sodium channel unspecific (NaC)	TTRK8B9	NOUNIPROTAC	Modulator	[2]

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Molecular Interaction Atlas (MIA)

MIA Detail

Jump to Detail Molecular Interaction Atlas of This Drug

References

1	Drugs@FDA. U.S. Food and Drug Administration. U.S. Department of Health & Human Services. 2015
2	WO patent application no. 2008,0857,11, Synergy of sodium channel blockers and calcium channel blockers.