Home > Compound List > Compound details
120410-24-4 molecular structure
click picture or here to close

[2-(1,2-diphenylethoxy)ethyl]trimethylazanium bromide

ChemBase ID: 162031
Molecular Formular: C19H26BrNO
Molecular Mass: 364.31984
Monoisotopic Mass: 363.11977646
SMILES and InChIs

SMILES:
C(COC(Cc1ccccc1)c1ccccc1)[N+](C)(C)C.[Br-]
Canonical SMILES:
C[N+](CCOC(c1ccccc1)Cc1ccccc1)(C)C.[Br-]
InChI:
InChI=1S/C19H26NO.BrH/c1-20(2,3)14-15-21-19(18-12-8-5-9-13-18)16-17-10-6-4-7-11-17;/h4-13,19H,14-16H2,1-3H3;1H/q+1;/p-1
InChIKey:
APVMLVNTOWQOHL-UHFFFAOYSA-M

Cite this record

CBID:162031 http://www.chembase.cn/molecule-162031.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
[2-(1,2-diphenylethoxy)ethyl]trimethylazanium bromide
IUPAC Traditional name
[2-(1,2-diphenylethoxy)ethyl]trimethylazanium bromide
Synonyms
6-[[(4R,5S,6S)-2-Carboxy-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-en-3-yl]thio]-6,7-dihydro-5H-pyrazolo[1,2-a][1,2,4]triazol-4-ium Inner Salt
Biapenern
Omegacin
Biapenem
CAS Number
120410-24-4
PubChem SID
162256166
PubChem CID
85001

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
TRC B372800 external link Add to cart
PubChem 85001 external link
Data Source Data ID Price
TRC
B372800 external link Add to cart Please log in.
Data Source Data ID
PubChem 85001 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Lipinski's Rule of Five true  H Acceptors
H Donor LogD (pH = 5.5) -0.22176816 
LogD (pH = 7.4) -0.22176816  Log P -0.22176816 
Molar Refractivity 100.5956 cm3 Polarizability 34.94773 Å3
Polar Surface Area 9.23 Å2 Rotatable Bonds

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Solubility
Water expand Show data source
Apperance
Off-White Solid expand Show data source
Melting Point
265-271°C (dec.) expand Show data source
Storage Condition
-20°C Freezer 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 - B372800 external link
An carbapenem antibacterial.

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
  • • Shigemi, A., et al.: Int. J. Antimicrob. Agents, 34, 589 (2009)
  • • Miguet, L., et al.: J. Med. Chem., 52, 5926 (2009)
  • • Zhao, W., et al.: J. Med. Microbiol., 58, 1080 (2009)
  • • Sanbongi, Y., et al.: Microbiol. Immunol., 53, 361 (2009)
  • Searching...Please wait...

PATENTS

PATENTS

PubChem iconPubChem Patent Google Patent Search IconGoogle Patent

INTERNET

INTERNET

Baidu iconBaidu google iconGoogle