CAS 126-27-2|OXETHAZAINE|Oxetacaine|2-Hydroxyethyliminobis[N-(α,α-dimethylphenethyl)-N-methyl-acetamide]|2-[(2-hydroxyethyl)({[methyl(2-methyl-1-phenylpropan-2-yl)carbamoyl]methyl})amino...

General Information

Structure

Molecular Formula

C₂₈H₄₁N₃O₃

Molecular Mass

467.64344

Exact Mass

467.31479219

Charge

InChI

InChI=1S/C28H41N3O3/c1-27(2,19-23-13-9-7-10-14-23)29(5)25(33)21-31(17-18-32)22-26(34)30(6)28(3,4)20-24-15-11-8-12-16-24/h7-16,32H,17-22H2,1-6H3

InChIKey

FTLDJPRFCGDUFH-UHFFFAOYSA-N

Canonic Smiles

OCCN(CC(=O)N(C(Cc1ccccc1)(C)C)C)CC(=O)N(C(Cc1ccccc1)(C)C)C

Isomeric Smiles

CN(C(=O)CN(CCO)CC(=O)N(C)C(C)(C)Cc1ccccc1)C(C)(C)Cc1ccccc1

Calculated Properties

JChem

Acid pKa

15.591475

H Acceptors

H Donor

LogD (pH = 5.5)

2.6969376

LogD (pH = 7.4)

3.1472213

Log P

3.1574252

Molar Refractivity

138.53

Polarizability

53.959484

Polar Surface Area

64.09

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Names and Identifiers

Synonyms

OXETHAZAINEOxetacaine2-Hydroxyethyliminobis[N-(α,α-dimethylphenethyl)-N-methyl-acetamide]2-羟乙基亚氨基双(N-[α,α-二甲基苯乙基]-N-甲基乙酰胺)Oxethazaine奥昔卡因阿塞赛因OxethacaineFH 099TopicainStorocaineOxaineStorocain2-Di(N-methyl-N-phenyl-tert-butyl-carbamoylmethyl)aminoethanol2,2'-[(2-Hydroxyethyl)imino]bis[N-(α,α-dimethylphenethyl)-N-methylacetamide]Wy 806BetalgilMucoxin

IUPAC name

2-[(2-hydroxyethyl)({[methyl(2-methyl-1-phenylpropan-2-yl)carbamoyl]methyl})amino]-N-methyl-N-(2-methyl-1-phenylpropan-2-yl)acetamide N-(2-benzylpropan-2-yl)-2-[(2-hydroxyethyl)({[methyl(2-methyl-1-phenylpropan-2-yl)carbamoyl]methyl})amino]-N-methylacetamide

IUPAC Traditional name

mucaine N-(2-benzylpropan-2-yl)-2-[(2-hydroxyethyl)({[methyl(2-methyl-1-phenylpropan-2-yl)carbamoyl]methyl})amino]-N-methylacetamide

Names and Identifiers

Registration numbers

EC Number

CAS Number

PubChem SID

MDL Number

PubChem CID

Registration numbers

Properties

Product Information

Certificate of Analysis

Download link

Grade

analytical standard, for drug analysis

Salt Data

Free Base

Physical Property

Solubility

Chloroform

Methanol

Apperance

White Solid

Melting Point

100-101°C

Pharmacology Properties

Target

Others

Properties

Related Proteins

No Data Available

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Molecular Spectra

No Data Available

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Molecule Details

MP Biomedicals

02156016

(2-Hydroxyethyliminobis[N-(α,α-dimethylphenethyl)-N-methyl-
acetamide]; Oxetacaine)

Sigma Aldrich

O5380

Application
已与抗酸剂结合使用治疗溃疡痛
Other Notes
Tandem Mass Spectrometry data independently generated by Scripps Center for Metabolomics is available to view or download in PDF. O5380.pdf Tested metabolites are featured on Scripps Center for Metabolomics METLIN Metabolite Database. To learn more, visit sigma.com/metlin.

TRC

O846600

A potent local anesthetic that is active even in acidic conditions. It is used (usually in combination with an antacid) for the relief of pain associated with peptic ulcer disease or esophagitis.

Molecule Details

References

PubChem Literature

From Data Sources

• Barbezat, G.O. et al.: Scand. J. Gastroenterol., 13, 321 (1965)

• Detrain, M. et al.: Acta. Gastro-Enterol. Belg., 28, 360 (1965)

• Masuda, Y. et al.: Biochem. Pharmacol., 64, 677 (1965)

References

Bioactivity

PubChem BioAssay

Bioactivity

Names and Identifiers

Synonyms

IUPAC name

IUPAC Traditional name

mucaine N-(2-benzylpropan-2-yl)-2-[(2-hydroxyethyl)({[methyl(2-methyl-1-phenylpropan-2-yl)carbamoyl]methyl})amino]-N-methylacetamide

Registration numbers

EC Number

CAS Number

PubChem SID

MDL Number

PubChem CID

Properties

Product Information

Certificate of Analysis

Download link

Grade

analytical standard, for drug analysis

Salt Data

Free Base

Physical Property

Solubility

Chloroform

Methanol

Apperance

White Solid

Melting Point

100-101°C

Pharmacology Properties

Target

Others

Molecule Details

MP Biomedicals

02156016

(2-Hydroxyethyliminobis[N-(α,α-dimethylphenethyl)-N-methyl-
acetamide]; Oxetacaine)

Sigma Aldrich

O5380

TRC

O846600

A potent local anesthetic that is active even in acidic conditions. It is used (usually in combination with an antacid) for the relief of pain associated with peptic ulcer disease or esophagitis.

References

PubChem Literature

From Data Sources

• Barbezat, G.O. et al.: Scand. J. Gastroenterol., 13, 321 (1965)

• Detrain, M. et al.: Acta. Gastro-Enterol. Belg., 28, 360 (1965)

• Masuda, Y. et al.: Biochem. Pharmacol., 64, 677 (1965)

Bioactivity

PubChem BioAssay

Molecule

ID:104462