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Butacaine Sulfate

HCID 120185
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Basic information

CAS
149-15-5
Standard SMILES
CCCCN(CCCC)CCCOC(=O)c1ccc(N)cc1.CCCCN(CCCC)CCCOC(=O)c1ccc(N)cc1.O=S(=O)(O)O
InChIKey
VWZAGCZUPZKTET-UHFFFAOYSA-N
Molecular formula
C36H62N4O8S
Average molar mass
711 g/mol
Monoisotopic mass
710.42883612

Overview

See also: Butacaine (has active moiety).

Names & identifiers

Preferred name
Butacaine Sulfate
IUPAC
bis(3-(dibutylamino)propyl 4-aminobenzoate);sulfuric acid

Names & synonyms

Butacaine sulfateButacaine sulphateButynButacaine sulfate [USP]PAU39W3CVB1-Propanol, 3-(dibutylamino)-, 4-aminobenzoate (ester), sulfate (salt) (2:1)DTXSID30164149Butacaine sulfate (USP)RefChem:57853DTXCID4086640205-733-1149-15-5
Show more names
ButellineButacaine (hemisulfate)1-Propanol, 3-(dibutylamino)-, 4-aminobenzoate (ester), sulfate (2:1) (salt)Butacaine sulfate;Butyn Sulfate3-(Dibutylamino)-1-propanol p-aminobenzoate (ester) sulfate (2:1)3-(dibutylamino)propyl 4-aminobenzoate;sulfuric acidMFCD00269938EINECS 205-733-1

Database identifiers

CAS
149-15-5
PubChem CID
120185
DTXSID
DTXSID30164149
ChEMBL
CHEMBL3142544
UNII
PAU39W3CVB
EC Number
205-733-1

Properties

Computed structural properties

Topological polar surface area
194 Ų
Hydrogen bond donors
4
Hydrogen bond acceptors
12
Rotatable bonds
24
Heavy atoms
49
Formal charge
0
Complexity
362

Chemistry & industry

Pharmacology

MeSH Pharmacological Classification · 1 item

Drugs that block nerve conduction when applied locally to nerve tissue in appropriate concentrations. They act on any part of the nervous system and on every type of nerve fiber. In contact with a nerve trunk, these anesthetics can cause both sensory and motor paralysis in the innervated area. Their action is completely reversible. (From Gilman AG, et. al., Goodman and Gilman's The Pharmacological Basis of Therapeutics, 8th ed) Nearly all local anesthetics act by reducing the tendency of voltage-dependent sodium channels to activate.

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Compound notes

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