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2379-74-0 | ORALITH BRILLIANT PINK R
CAS No: 2379-74-0 Catalog No: AG003THQ MDL No:MFCD00059165
Product Description
Catalog Number:
AG003THQ
Chemical Name:
ORALITH BRILLIANT PINK R
CAS Number:
2379-74-0
MDL Number:
MFCD00059165
IUPAC Name:
(2E)-6-chloro-2-(6-chloro-4-methyl-3-oxo-1-benzothiophen-2-ylidene)-4-methyl-1-benzothiophen-3-one
InChI:
InChI=1S/C18H10Cl2O2S2/c1-7-3-9(19)5-11-13(7)15(21)17(23-11)18-16(22)14-8(2)4-10(20)6-12(14)24-18/h3-6H,1-2H3/b18-17+
InChI Key:
NDDLLTAIKYHPOD-ISLYRVAYSA-N
EC Number:
219-163-6
UNII:
2S42T2808B
Properties
Complexity:
568
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
391.95g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
393.296g/mol
Monoisotopic Mass:
391.95g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
84.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.1
Literature
| Title | Journal |
|---|---|
| Permanent make-up colorants may cause severe skin reactions. | Contact dermatitis 20101001 |
| A common mechanism underlying promiscuous inhibitors from virtual and high-throughput screening. | Journal of medicinal chemistry 20020411 |
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