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927871-76-9 | 2,3,4,5-Tetrahydro-7-methoxy-4-methyl-1,4-benzothiazepine
CAS No: 927871-76-9 Catalog No: AG00GW95 MDL No:MFCD12546447
Product Description
Catalog Number:
AG00GW95
Chemical Name:
2,3,4,5-Tetrahydro-7-methoxy-4-methyl-1,4-benzothiazepine
CAS Number:
927871-76-9
Molecular Formula:
C11H15NOS
Molecular Weight:
209.3079
MDL Number:
MFCD12546447
IUPAC Name:
7-methoxy-4-methyl-3,5-dihydro-2H-1,4-benzothiazepine
InChI:
InChI=1S/C11H15NOS/c1-12-5-6-14-11-4-3-10(13-2)7-9(11)8-12/h3-4,7H,5-6,8H2,1-2H3
InChI Key:
BGVCEGVSQDOGSB-UHFFFAOYSA-N
SMILES:
COc1ccc2c(c1)CN(C)CCS2
Properties
Complexity:
188
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
209.087g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
209.307g/mol
Monoisotopic Mass:
209.087g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
37.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
Literature
| Title | Journal |
|---|---|
| Calcium leak through ryanodine receptors leads to atrial fibrillation in 3 mouse models of catecholaminergic polymorphic ventricular tachycardia. | Circulation research 20120831 |
| Ryanodine receptor oxidation causes intracellular calcium leak and muscle weakness in aging. | Cell metabolism 20110803 |
| Two candidates at the heart of dysfunction: The ryanodine receptor and calcium/calmodulin protein kinase II as potential targets for therapeutic intervention-An in vivo perspective. | Pharmacology & therapeutics 20110801 |
| Investigation of the in vitro metabolism of the emerging drug candidate S107 for doping-preventive purposes. | Journal of mass spectrometry : JMS 20110201 |
| Electron ionization mass spectrometry of the ryanodine receptor-based Ca(2+)-channel stabilizer S-107 and its implementation into routine doping control. | Rapid communications in mass spectrometry : RCM 20090801 |
| Doping control analysis of emerging drugs in human plasma - identification of GW501516, S-107, JTV-519, and S-40503. | Rapid communications in mass spectrometry : RCM 20090401 |
| Screening for the calstabin-ryanodine receptor complex stabilizers JTV-519 and S-107 in doping control analysis. | Drug testing and analysis 20090101 |
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