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117-89-5

117-89-5 | 10H-Phenothiazine, 10-[3-(4-methyl-1-piperazinyl)propyl]-2-(trifluoromethyl)-

CAS No: 117-89-5 Catalog No: AG000DJ9 MDL No:MFCD00242601

Product Description

Catalog Number:
AG000DJ9
Chemical Name:
10H-Phenothiazine, 10-[3-(4-methyl-1-piperazinyl)propyl]-2-(trifluoromethyl)-
CAS Number:
117-89-5
Molecular Formula:
C21H24F3N3S
Molecular Weight:
407.4956
MDL Number:
MFCD00242601
IUPAC Name:
10-[3-(4-methylpiperazin-1-yl)propyl]-2-(trifluoromethyl)phenothiazine
InChI:
InChI=1S/C21H24F3N3S/c1-25-11-13-26(14-12-25)9-4-10-27-17-5-2-3-6-19(17)28-20-8-7-16(15-18(20)27)21(22,23)24/h2-3,5-8,15H,4,9-14H2,1H3
InChI Key:
ZEWQUBUPAILYHI-UHFFFAOYSA-N
SMILES:
CN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F
EC Number:
204-219-4
UNII:
214IZI85K3

Properties

Complexity:
510  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
407.164g/mol
Formal Charge:
0
Heavy Atom Count:
28  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
407.499g/mol
Monoisotopic Mass:
407.164g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
35A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5  

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3-[2-[4-(3-chloro-2-methylphenyl)-1-piperazinyl]ethyl]-5,6-dimethoxy-1-(4-imidazolylmethyl)-1H-indazole dihydrochloride 3.5 hydrate (DY-9760e), a novel calmodulin antagonist, reduces brain edema through the inhibition of enhanced blood-brain barrier permeability after transient focal ischemia. The Journal of pharmacology and experimental therapeutics 20030301
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Benzyloxybenzaldehyde analogues as novel adenylyl cyclase activators. Bioorganic & medicinal chemistry letters 20010806
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