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20627-44-5 molecular structure
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10-[3-(4-methylpiperazin-1-yl)propyl]-10H-5λ4,10-phenothiazin-5-one

ChemBase ID: 176364
Molecular Formular: C20H25N3OS
Molecular Mass: 355.497
Monoisotopic Mass: 355.17183344
SMILES and InChIs

SMILES:
c1ccc2c(c1)N(c1c(S2=O)cccc1)CCCN1CCN(CC1)C
Canonical SMILES:
CN1CCN(CC1)CCCN1c2ccccc2S(=O)c2c1cccc2
InChI:
InChI=1S/C20H25N3OS/c1-21-13-15-22(16-14-21)11-6-12-23-17-7-2-4-9-19(17)25(24)20-10-5-3-8-18(20)23/h2-5,7-10H,6,11-16H2,1H3
InChIKey:
QGGFCTLXKUUQAT-UHFFFAOYSA-N

Cite this record

CBID:176364 http://www.chembase.cn/molecule-176364.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
10-[3-(4-methylpiperazin-1-yl)propyl]-10H-5λ4,10-phenothiazin-5-one
IUPAC Traditional name
10-[3-(4-methylpiperazin-1-yl)propyl]-5λ4,10-phenothiazin-5-one
Synonyms
10-[3-(4-Methyl-1-piperazinyl)propyl]-10H-phenothiazine 5-Oxide
Perazine Sulphoxide
Perazine Sulfoxide
CAS Number
20627-44-5
PubChem SID
164232274
PubChem CID
159893

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
TRC P285820 external link Add to cart
PubChem 159893 external link
Data Source Data ID Price
TRC
P285820 external link Add to cart Please log in.
Data Source Data ID
PubChem 159893 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -0.31530696  LogD (pH = 7.4) 1.4568053 
Log P 2.403933  Molar Refractivity 106.3733 cm3
Polarizability 41.16631 Å3 Polar Surface Area 26.79 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Product Information Bioassay(PubChem)
MSDS Link
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Certificate of Analysis
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DETAILS

DETAILS

TRC TRC
Toronto Research Chemicals - P285820 external link
Main metabolite of Perazine (P285800).

REFERENCES

REFERENCES

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  • • Breyer, U., et al.: Biochem. Pharmacol., 26, 1275 (1977)
  • • Schley, J., et al.: J. Pharm. Pharmacol., 39, 132 (1977)
  • • Daniel, W., et al.: J. Pharm. Pharmacol., 52, 1473 (1977)
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PATENTS

PATENTS

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INTERNET

INTERNET

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