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1400-62-0 | Orcein (Synthetic)
CAS No: 1400-62-0 Catalog No: AG001BY4 MDL No:MFCD00062310
Product Description
Catalog Number:
AG001BY4
Chemical Name:
Orcein (Synthetic)
CAS Number:
1400-62-0
MDL Number:
MFCD00062310
IUPAC Name:
8-(2,4-dihydroxy-6-methylanilino)-2-(2,4-dihydroxy-6-methylphenyl)imino-7-hydroxy-1,9-dimethyldibenzofuran-3-one
InChI:
InChI=1S/C28H24N2O7/c1-11-5-15(31)7-17(33)25(11)29-27-13(3)23-21(9-19(27)35)37-22-10-20(36)28(14(4)24(22)23)30-26-12(2)6-16(32)8-18(26)34/h5-10,29,31-35H,1-4H3
InChI Key:
QFIIYGZAUXVPSZ-UHFFFAOYSA-N
EC Number:
215-750-6
NSC Number:
610930
Properties
Complexity:
1010
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
500.158g/mol
Formal Charge:
0
Heavy Atom Count:
37
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
6
Isotope Atom Count:
0
Molecular Weight:
500.507g/mol
Monoisotopic Mass:
500.158g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
152A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
Literature
| Title | Journal |
|---|---|
| Identification of HIV-1 integrase inhibitors based on a four-point pharmacophore. | Antiviral chemistry & chemotherapy 19981101 |
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