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101976-48-1 | 10H-Phenothiazine, 3-methoxy-10-[(1-methyl-3-piperidinyl)methyl]-
CAS No: 101976-48-1 Catalog No: AG00065A MDL No:
Product Description
Catalog Number:
AG00065A
Chemical Name:
10H-Phenothiazine, 3-methoxy-10-[(1-methyl-3-piperidinyl)methyl]-
CAS Number:
101976-48-1
Molecular Formula:
C20H24N2OS
Molecular Weight:
340.4824
IUPAC Name:
3-methoxy-10-[(1-methylpiperidin-3-yl)methyl]phenothiazine
InChI:
InChI=1S/C20H24N2OS/c1-21-11-5-6-15(13-21)14-22-17-7-3-4-8-19(17)24-20-12-16(23-2)9-10-18(20)22/h3-4,7-10,12,15H,5-6,11,13-14H2,1-2H3
InChI Key:
CNRIXYDXYSOWJI-UHFFFAOYSA-N
SMILES:
COc1ccc2c(c1)Sc1c(N2CC2CCCN(C2)C)cccc1
Properties
Complexity:
420
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
340.161g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
340.485g/mol
Monoisotopic Mass:
340.161g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
41A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
5.6
Literature
| Title | Journal |
|---|---|
| Synthesis and antitubercular activity of phenothiazines with reduced binding to dopamine and serotonin receptors. | Bioorganic & medicinal chemistry letters 20070601 |
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