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1323251-06-4 molecular structure
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N-(4-hydroxy-2,6-dimethylphenyl)-1-(2H3)methylpiperidine-2-carboxamide

ChemBase ID: 170216
Molecular Formular: C15H22N2O2
Molecular Mass: 262.34738
Monoisotopic Mass: 262.16812795
SMILES and InChIs

SMILES:
C1CCN(C(C1)C(=O)Nc1c(cc(cc1C)O)C)C
Canonical SMILES:
CN1CCCCC1C(=O)Nc1c(C)cc(cc1C)O
InChI:
InChI=1S/C15H22N2O2/c1-10-8-12(18)9-11(2)14(10)16-15(19)13-6-4-5-7-17(13)3/h8-9,13,18H,4-7H2,1-3H3,(H,16,19)
InChIKey:
FBFWYQLEUFLRTK-UHFFFAOYSA-N

Cite this record

CBID:170216 http://www.chembase.cn/molecule-170216.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
N-(4-hydroxy-2,6-dimethylphenyl)-1-(2H3)methylpiperidine-2-carboxamide
IUPAC Traditional name
N-(4-hydroxy-2,6-dimethylphenyl)-1-(2H3)methylpiperidine-2-carboxamide
Synonyms
N-(4-Hydroxy-2,6-dimethylphenyl)-1-(methyl-d3)-2-piperidinecarboxamide
4'-hydroxy-1-(methyl-d3)-2',6'-pipecoloxylidide
1-(Methyl-d3)-4'-hydroxy-2',6'-pipecoloxylidide
1-(Methyl-d3)pipecolo-4'-hydroxy-2',6'-xylidide
4-Hydroxy Mepivacaine-d3
CAS Number
1323251-06-4
PubChem SID
164226126
PubChem CID
71748870

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
TRC H825362 external link Add to cart
PubChem 71748870 external link
Data Source Data ID Price
TRC
H825362 external link Add to cart Please log in.
Data Source Data ID
PubChem 71748870 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 9.68475  H Acceptors
H Donor LogD (pH = 5.5) 1.1932901 
LogD (pH = 7.4) 2.676196  Log P 2.8880546 
Molar Refractivity 78.3006 cm3 Polarizability 29.34496 Å3
Polar Surface Area 52.57 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Solubility
Methaol expand Show data source
Apperance
White Solid expand Show data source
Melting Point
>226°C (dec.) expand Show data source
Storage Condition
Refrigerator expand Show data source
MSDS Link
Download expand Show data source
Certificate of Analysis
Download expand Show data source

DETAILS

DETAILS

TRC TRC
Toronto Research Chemicals - H825362 external link
A labelled metabolite of Mepivacaine (M225060).

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
  • • Cribb, A., et al.: Drug Metabol. Dispos., 19, 900 ( 1991), Brander, C., et al.: J. Immunol., 155, 2670 (1995)
  • • Padovan, E., et al.: Eur. J. Immunol., 27, 1303 (1995)
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PATENTS

PATENTS

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INTERNET

INTERNET

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