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Dibucaine Hydrochloride

CAT: 0572-TRC-D426500-100MGSize: 100 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-D426500-100MGSize:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
61-12-1
Synonyms
Cinchocaine Hydrochloride; 2-Butoxy-N-[2-(diethylamino)ethyl]-4-quinolinecarboxamide monohydrochloride; 2-Butoxy-N-[2-(diethylamino)ethyl]-cinchoninamide monohydrochloride; 2-Butoxy-N-(2-diethylaminoethyl)cinchoninamide hydrochloride; 2-Butoxy-N-(2-diethylaminoethyl)cinchoninic acid amide hydrochloride; 2-n-Butoxy-N-(2-diethylaminoethyl)cinchoninamide hydrochloride; Benzolin; Benzolin (local anesthetic); Cincaine; Cincaine chloride; Cinchocainium chloride; Dibucaine hydrochloride; Nupercaine hydrochloride; Percain; Percaine; Percamin S; Sovcain; Sovcaine; 4-Quinolinecarboxamide, 2-butoxy-N-[2-(diethylamino)ethyl]-, monohydrochloride (9CI); Cinchoninamide, 2-butoxy-N-[2-(diethylamino)ethyl]-, monohydrochloride (8CI); Cinchocaine hydrochloride
Hazard Statement
Harmful if swallowed.
Purity
>95% (HPLC)
Smiles
Cl.CCCCOc1cc(C(=O)NCCN(CC)CC)c2ccccc2n1
Molecular Formula
C20 H29 N3 O2 . Cl H
Molecular Weight
379.92
InChI
InChI=1S/C20H29N3O2.ClH/c1-4-7-14-25-19-15-17(16-10-8-9-11-18(16)22-19)20(24)21-12-13-23(5-2)6-3;/h8-11,15H,4-7,12-14H2,1-3H3,(H,21,24);1H
Additionnal Information
IUPAC name: 2-butoxy-N-[2-(diethylamino)ethyl]quinoline-4-carboxamide;hydrochloride
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

Dibucaine Hydrochloride

See also: Dibucaine (has active moiety); Dibucaine Hydrochloride; Secobarbital Sodium (component of) ... View More ...

CAS Number61-12-1
PubChem CID521951
IUPAC Name2-butoxy-N-[2-(diethylamino)ethyl]quinoline-4-carboxamide;hydrochloride
Molecular FormulaC20H30ClN3O2
Molecular Weight379.9
Topological Polar Surface Area54.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count10
Heavy Atom Count26
Formal Charge0
Complexity387
SMILES
CCCCOC1=NC2=CC=CC=C2C(=C1)C(=O)NCCN(CC)CC.Cl
InChI
InChI=1S/C20H29N3O2.ClH/c1-4-7-14-25-19-15-17(16-10-8-9-11-18(16)22-19)20(24)21-12-13-23(5-2)6-3;/h8-11,15H,4-7,12-14H2,1-3H3,(H,21,24);1H
InChIKey
IVHBBMHQKZBJEU-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Dibucaine Hydrochloride
CAS: 61-12-1
CID: 521951
Formula: C20H30ClN3O2
MW: 379.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight379.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count10
Exact Mass379.2026549
Monoisotopic Mass379.2026549
Topological Polar Surface Area54.5 Ų
Heavy Atom Count26
Formal Charge0
Complexity387
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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MBS6118218-01Dibucaine Hydrochloride
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