MILK CLOTTING ENZYME FROM MUCOR MIEHEI COONEY ET EMERSON (CHEM006810)

IdentificationTaxonomyBiological PropertiesPhysical PropertiesToxicity ProfileSpectraConcentrationsLinksReferencesXML
Record Information
Version1.0
Creation Date2016-05-19 02:17:55 UTC
Update Date2026-04-14 21:10:39 UTC
Accession NumberCHEM006810
Identification
Common NameMILK CLOTTING ENZYME FROM MUCOR MIEHEI COONEY ET EMERSON
ClassSmall Molecule
DescriptionThe fluorescent compound widely used in experimental cell biology and biochemistry to reveal double-stranded DNA and RNA.
Contaminant Sources
  • EAFUS Chemicals
  • HPV EPA Chemicals
Contaminant TypeNot Available
Chemical Structure
Thumb
MOLSDFPDBSMILESInChI
Synonyms
ValueSource
Ethidium cationChEBI
HomidiumChEBI
Homidium bromideMeSH
NovidiumMeSH
Bromide, ethidiumMeSH
Bromide, homidiumMeSH
Ethidium bromideMeSH
Chemical FormulaC21H20N3
Average Molecular Mass314.404 g/mol
Monoisotopic Mass314.166 g/mol
CAS Registry Number977017-76-7
IUPAC Name5-ethyl-3-imino-6-phenyl-3,5-dihydrophenanthridin-8-aminium
Traditional Name5-ethyl-3-imino-6-phenylphenanthridin-8-aminium
SMILESCCN1C2=CC(=N)C=CC2=C2C=CC([NH3+])=CC2=C1C1=CC=CC=C1
InChI IdentifierInChI=1S/C21H19N3/c1-2-24-20-13-16(23)9-11-18(20)17-10-8-15(22)12-19(17)21(24)14-6-4-3-5-7-14/h3-13,23H,2,22H2,1H3/p+1
InChI KeyQTANTQQOYSUMLC-UHFFFAOYSA-O
Chemical Taxonomy
Description belongs to the class of organic compounds known as phenylquinolines. These are heterocyclic compounds containing a quinoline moiety substituted with a phenyl group.
KingdomOrganic compounds
Super ClassOrganoheterocyclic compounds
ClassQuinolines and derivatives
Sub ClassPhenylquinolines
Direct ParentPhenylquinolines
Alternative Parents
Substituents
  • Phenylquinoline
  • Benzoquinoline
  • Phenanthridine
  • 2-phenylpyridine
  • Aminoquinoline
  • Isoquinoline
  • Monocyclic benzene moiety
  • Benzenoid
  • Pyridinium
  • Pyridine
  • Heteroaromatic compound
  • Azacycle
  • Organonitrogen compound
  • Amine
  • Hydrocarbon derivative
  • Organopnictogen compound
  • Organic nitrogen compound
  • Primary amine
  • Organic cation
  • Aromatic heteropolycyclic compound
Molecular FrameworkAromatic heteropolycyclic compounds
External Descriptors
Biological Properties
StatusDetected and Not Quantified
OriginNot Available
Cellular LocationsNot Available
Biofluid LocationsNot Available
Tissue LocationsNot Available
PathwaysNot Available
ApplicationsNot Available
Biological RolesNot Available
Chemical RolesNot Available
Physical Properties
StateNot Available
AppearanceNot Available
Experimental Properties
PropertyValue
Melting PointNot Available
Boiling PointNot Available
SolubilityNot Available
Predicted Properties
PropertyValueSource
Water Solubility0.025 g/LALOGPS
logP0.83ALOGPS
logP1.86ChemAxon
logS-4.2ALOGPS
pKa (Strongest Basic)11.85ChemAxon
Physiological Charge1ChemAxon
Hydrogen Acceptor Count2ChemAxon
Hydrogen Donor Count2ChemAxon
Polar Surface Area54.73 ŲChemAxon
Rotatable Bond Count2ChemAxon
Refractivity128.36 m³·mol⁻¹ChemAxon
Polarizability36.25 ųChemAxon
Number of Rings4ChemAxon
Bioavailability1ChemAxon
Rule of FiveYesChemAxon
Ghose FilterYesChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
Spectra
Spectra
Spectrum TypeDescriptionSplash KeyView
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, Positivesplash10-014i-0009000000-bcd9cd301709fbf063bdSpectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, Positivesplash10-014i-0009000000-f8209e380cb00d5fe56bSpectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, Positivesplash10-05q0-8179000000-671ef04ac1b1cb8b86d4Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, Negativesplash10-03di-0009000000-c557b6f8cf70738eeab3Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, Negativesplash10-03di-0009000000-e8e3f0ef4d8f979c8637Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, Negativesplash10-0i00-1039000000-ba127160dbfacd01b399Spectrum
Toxicity Profile
Route of ExposureNot Available
Mechanism of ToxicityNot Available
MetabolismNot Available
Toxicity ValuesNot Available
Lethal DoseNot Available
Carcinogenicity (IARC Classification)Not Available
Uses/SourcesNot Available
Minimum Risk LevelNot Available
Health EffectsNot Available
SymptomsNot Available
TreatmentNot Available
Concentrations
Not Available
DrugBank IDNot Available
HMDB IDNot Available
FooDB IDNot Available
Phenol Explorer IDNot Available
KNApSAcK IDNot Available
BiGG IDNot Available
BioCyc IDNot Available
METLIN IDNot Available
PDB IDNot Available
Wikipedia LinkEthidium bromide
Chemspider IDNot Available
ChEBI ID42478
PubChem Compound ID3624
Kegg Compound IDNot Available
YMDB IDNot Available
ECMDB IDNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General ReferencesNot Available