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3926-64-5 molecular structure
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10-[3-(dimethylamino)propyl]-10H-phenothiazin-2-ol

ChemBase ID: 171171
Molecular Formular: C17H20N2OS
Molecular Mass: 300.4185
Monoisotopic Mass: 300.12963427
SMILES and InChIs

SMILES:
c1ccc2c(c1)Sc1c(N2CCCN(C)C)cc(cc1)O
Canonical SMILES:
CN(CCCN1c2ccccc2Sc2c1cc(O)cc2)C
InChI:
InChI=1S/C17H20N2OS/c1-18(2)10-5-11-19-14-6-3-4-7-16(14)21-17-9-8-13(20)12-15(17)19/h3-4,6-9,12,20H,5,10-11H2,1-2H3
InChIKey:
YMVFQWULFRMLRA-UHFFFAOYSA-N

Cite this record

CBID:171171 http://www.chembase.cn/molecule-171171.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
10-[3-(dimethylamino)propyl]-10H-phenothiazin-2-ol
IUPAC Traditional name
2-hydroxypromazine
Synonyms
10-[3-(Dimethylamino)propyl]-10H-phenothiazin-2-ol
2-Hydroxy Promazine
CAS Number
3926-64-5
PubChem SID
164227081
PubChem CID
77525

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
TRC H952420 external link Add to cart
PubChem 77525 external link
Data Source Data ID Price
TRC
H952420 external link Add to cart Please log in.
Data Source Data ID
PubChem 77525 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 9.6097555  H Acceptors
H Donor LogD (pH = 5.5) 0.34394482 
LogD (pH = 7.4) 1.8375514  Log P 3.081797 
Molar Refractivity 90.9324 cm3 Polarizability 34.719933 Å3
Polar Surface Area 26.71 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 - H952420 external link
A metabolite of Promazine (P756300).

REFERENCES

REFERENCES

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  • • Bayer, P., et al.: J. Mol. Biol., 247, 529 (1995)
  • • Hajduk, P., et al.: J. Med. Chem., 43, 4781 (1995)
  • • Lind, K., et al.: Chem. Biol., 9, 185 (1995)
  • • Renner, S., et al.: ChemBioChem., 6, 1119 (1995)
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PATENTS

PATENTS

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INTERNET

INTERNET

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