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1553-34-0 | Piperidine, 1-methyl-3-(9H-thioxanthen-9-ylmethyl)-, hydrochloride (1:1)
CAS No: 1553-34-0 Catalog No: AG001NTE MDL No:
Product Description
Catalog Number:
AG001NTE
Chemical Name:
Piperidine, 1-methyl-3-(9H-thioxanthen-9-ylmethyl)-, hydrochloride (1:1)
CAS Number:
1553-34-0
Molecular Formula:
C20H24ClNS
Molecular Weight:
345.9293
IUPAC Name:
1-methyl-3-(9H-thioxanthen-9-ylmethyl)piperidine;hydrochloride
InChI:
InChI=1S/C20H23NS.ClH/c1-21-12-6-7-15(14-21)13-18-16-8-2-4-10-19(16)22-20-11-5-3-9-17(18)20;/h2-5,8-11,15,18H,6-7,12-14H2,1H3;1H
InChI Key:
RSXZRFHNNTTWCB-UHFFFAOYSA-N
SMILES:
CN1CCCC(C1)CC1c2ccccc2Sc2c1cccc2.Cl
EC Number:
216-300-1
NSC Number:
78194
Properties
Complexity:
349
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
345.132g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
345.929g/mol
Monoisotopic Mass:
345.132g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
28.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
Literature
| Title | Journal |
|---|---|
| Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. | Bioorganic & medicinal chemistry letters 20101101 |
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