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578-95-0 molecular structure
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9,10-dihydroacridin-9-one

ChemBase ID: 69882
Molecular Formular: C13H9NO
Molecular Mass: 195.21666
Monoisotopic Mass: 195.06841391
SMILES and InChIs

SMILES:
c1cccc2[nH]c3ccccc3c(=O)c12
Canonical SMILES:
O=c1c2ccccc2[nH]c2c1cccc2
InChI:
InChI=1S/C13H9NO/c15-13-9-5-1-3-7-11(9)14-12-8-4-2-6-10(12)13/h1-8H,(H,14,15)
InChIKey:
FZEYVTFCMJSGMP-UHFFFAOYSA-N

Cite this record

CBID:69882 http://www.chembase.cn/molecule-69882.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
9,10-dihydroacridin-9-one
IUPAC Traditional name
acridone
Synonyms
ACRIDONE
9,10-Dihydro-9-oxoacridine
Acridone
9(10H)-Acridanone
9(10H)-Acridone
9(10H)-Acridone
9-Acridanone
9(10H)-Acridinone
9-Acridone
Acridin-9-one
9,10-Dihydro-9-oxo-acridine
CK 103
NSC 408196
NSC 7664
Acridone
acridin-9(10H)-one
吖啶酮
氮蒽酮
9(10H)-吖啶酮
9(10H)吖啶酮
吖啶酮
CAS Number
578-95-0
EC Number
209-434-7
MDL Number
MFCD00005019
Beilstein Number
7104
PubChem SID
24844904
162035607
24848848
PubChem CID
2015
CHEBI ID
50756
CHEMBL
436589
Chemspider ID
10188539
Wikipedia Title
Acridone

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 16.605993  H Acceptors
H Donor LogD (pH = 5.5) 4.199279 
LogD (pH = 7.4) 4.199279  Log P 4.199279 
Molar Refractivity 59.0617 cm3 Polarizability 22.401989 Å3
Polar Surface Area 29.1 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Pharmacology Properties Product Information Bioassay(PubChem)
Solubility
DMSO expand Show data source
Apperance
Yellow Solid expand Show data source
Melting Point
>280°C (dec.) expand Show data source
>300 °C(lit.) expand Show data source
360-362°C expand Show data source
Absorption Wavelength
λmax 380 nm expand Show data source
λmax 399 nm (2nd) expand Show data source
Storage Condition
Refrigerator expand Show data source
Storage Warning
IRRITANT expand Show data source
RTECS
AR6976000 expand Show data source
MSDS Link
Download expand Show data source
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German water hazard class
3 expand Show data source
TSCA Listed
false expand Show data source
expand Show data source
Personal Protective Equipment
Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter expand Show data source
Gene Information
human ... ABCB1(5243) expand Show data source
Purity
≥98.0% (HPLC) expand Show data source
95+% expand Show data source
98% expand Show data source
99% expand Show data source
Grade
for fluorescence expand Show data source
purum expand Show data source
Certificate of Analysis
Download expand Show data source
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Empirical Formula (Hill Notation)
C13H9NO expand Show data source

DETAILS

DETAILS

MP Biomedicals MP Biomedicals Wikipedia Wikipedia Sigma Aldrich Sigma Aldrich TRC TRC
MP Biomedicals - 05211369 external link
MP Biomedicals Rare Chemical collection
Sigma Aldrich - 150215 external link
Packaging
1, 5 g in glass bottle
Toronto Research Chemicals - A190950 external link
A precursor molecule to several chemotherapeutic agents. A catabolic product of carbamazepine (C175840) metabolite. Used as a fluorescent tag for antibody catalysis.

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
  • • Velingkar, V.S. et al.: Res. J. Pharmacol. Tech., 2, 366 92009); Mathieu, O. et al.: Xenobiotica, 41, 91 (2011)
  • • Gao, C. et al.: Bioorg. Med. Chem., 16, 8670 (2011)
  • • Reymond, J. et al.: Proceed. Nat. Acad. Sci. U.S.A., 93, 4251 (2011)
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PATENTS

PATENTS

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INTERNET

INTERNET

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