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10078-27-0,MFCD09842555
Catalog No.:AA0002RS
10078-27-0 | 10H-Phenothiazine, 2-chloro-10-[3-(4-methyl-1-piperazinyl)propyl]-, 5-oxide
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2.5mg
1 week  
$1,634.00   $1,144.00
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12.5mg
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$3,643.00   $2,550.00
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Technical Information
Catalog Number:
AA0002RS
Chemical Name:
10H-Phenothiazine, 2-chloro-10-[3-(4-methyl-1-piperazinyl)propyl]-, 5-oxide
CAS Number:
10078-27-0
Molecular Formula:
C20H24ClN3OS
Molecular Weight:
389.9421
MDL Number:
MFCD09842555
IUPAC Name:
(5S)-2-chloro-10-[3-(4-methylpiperazin-1-yl)propyl]phenothiazine 5-oxide
InChI:
InChI=1S/C20H24ClN3OS/c1-22-11-13-23(14-12-22)9-4-10-24-17-5-2-3-6-19(17)26(25)20-8-7-16(21)15-18(20)24/h2-3,5-8,15H,4,9-14H2,1H3/t26-/m0/s1
InChI Key:
AZGYHFQQUZPAFZ-SANMLTNESA-N
SMILES:
CN1CCN(CC1)CCCN1c2ccccc2S(=O)c2c1cc(Cl)cc2
Properties
Computed Properties
 
Complexity:
499  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
1  
Defined Bond Stereocenter Count:
0
Exact Mass:
389.133g/mol
Formal Charge:
0
Heavy Atom Count:
26  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
389.942g/mol
Monoisotopic Mass:
389.133g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
56.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6  

Synonyms
 
Prochlorperazine Sulfoxide 
10078-27-0 
AC1MJ1U0 
CHEMBL493466 
SCHEMBL18752073 
CTK3J9248 
ZINC21981328 
ZINC21981330 
AKOS030255679 
API0000767 
FT-0674041 
J-000221 
UNII-0A09U0GEU1 
UNII-0A09U0GEU1 component AZGYHFQQUZPAFZ-AREMUKBSSA-N 
UNII-0A09U0GEU1 component AZGYHFQQUZPAFZ-SANMLTNESA-N 
C20H24ClN3OS 
C20-H24-Cl-N3-O-S 
CID3084059 
2-Chloro-10-(3-(4-methyl-1-piperazinyl)propyl)-10H-phenothiazine 5-oxide 
2-chloro-10-[3-(4-methylpiperazin-1-yl)propyl]phenothiazine 5-oxide 
10H-Phenothiazine,2-chloro-10-[3-(4-methyl-1-piperazinyl)propyl]-, 5-oxide 
0A09U0GEU1 
10H-Phenothiazine, 2-chloro-10-(3-(4-methyl-1-piperazinyl)propyl)-, 5-oxide 
2-Chloro-10-[3-(4-methyl-1-piperazinyl)propyl]-10H-phenothiazine 5-Oxide 
10H-Phenothiazine, 2-chloro-10-[3-(4-methyl-1-piperazinyl)propyl]-, 5-oxide 
Literature
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