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1185240-06-5 molecular structure
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2-[(1E)-({[(2H3)methoxycarbonyl]amino}imino)methyl]quinoxaline-1,4-diium-1,4-bis(olate)

ChemBase ID: 163583
Molecular Formular: C11H10N4O4
Molecular Mass: 262.2215
Monoisotopic Mass: 262.07020482
SMILES and InChIs

SMILES:
c1ccc2c(c1)[n+](c(c[n+]2[O-])/C=N/NC(=O)OC)[O-]
Canonical SMILES:
COC(=O)N/N=C/c1c[n+]([O-])c2c([n+]1[O-])cccc2
InChI:
InChI=1S/C11H10N4O4/c1-19-11(16)13-12-6-8-7-14(17)9-4-2-3-5-10(9)15(8)18/h2-7H,1H3,(H,13,16)/b12-6+
InChIKey:
OVGGLBAWFMIPPY-WUXMJOGZSA-N

Cite this record

CBID:163583 http://www.chembase.cn/molecule-163583.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-[(1E)-({[(2H3)methoxycarbonyl]amino}imino)methyl]quinoxaline-1,4-diium-1,4-bis(olate)
IUPAC Traditional name
2-[(1E)-({[(2H3)methoxycarbonyl]amino}imino)methyl]quinoxaline-1,4-diium-1,4-bis(olate)
Synonyms
(2-Quinoxalinylmethylene)hydrazinecarboxylic Acid Methyl-d3 Ester N,N'-Dioxide
2-Formylquinoxaline-1,4-dioxide Carbomethoxyhydrazone-d3
Fortigro-d3
GS 6244-d3
Getroxel-d3
Mecadox-d3
Carbadox-d3
CAS Number
1185240-06-5
PubChem SID
162257718
PubChem CID
46780165

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
TRC C175827 external link Add to cart
PubChem 46780165 external link
Data Source Data ID Price
TRC
C175827 external link Add to cart Please log in.
Data Source Data ID
PubChem 46780165 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 10.596717  H Acceptors
H Donor LogD (pH = 5.5) -0.7063694 
LogD (pH = 7.4) -0.7066108  Log P -0.70636624 
Molar Refractivity 68.242 cm3 Polarizability 25.215378 Å3
Polar Surface Area 101.61 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Solubility
DMSO expand Show data source
Apperance
Yellow Solid expand Show data source
Melting Point
>214°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

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
  • • Thrasher, et al.: J. Anim. Sci., 26, 911 (1967)
  • • Hansen, L., et al.: Antimicrob. Agents Chemother., 48, 3332 (1967)
  • • Li, X., et al.: Drugs, 64, 159 (1967)
  • • Hansen, L., et al.: Microb. Drug Resist., 11, 378 (1967)
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PATENTS

PATENTS

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INTERNET

INTERNET

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