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Tianeptine
IUPAC: 7-[(3-chloro-6-methyl-5,5-dioxo-11H-benzo[c][2,1]benzothiazepin-11-yl)amino]heptanoic acid
Salt: Sulfate
CAS: 1224690-84-9
Batch Date: November 2022
Minimum Quantity: 0.5g
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Molecular Formula: C21H24ClN2NaO4S
Formula Weight: 458.934029
Composition: C(54.96%) H(5.27%) Cl(7.73%) N(6.10%) Na(5.01%) O(13.94%) S(6.99%)
Molar Refractivity: Not available
Molar Volume: Not available
Parachor: Not available
Index of Refraction: Not available
Surface Tension: Not available
Density: Not available
Dielectric Constant: Not available
Polarizability: Not available
RDBE: 11
Monoisotopic Mass: 458.1043 Da
Nominal Mass: 458 Da
Average Mass: 458.934 Da
M+: 458.103751 Da
M-: 458.104849 Da
[M+H]+: 459.111576 Da
[M+H]-: 459.112674 Da
[M-H]+: 457.095926 Da
[M-H]-: 457.097024 Da
Data predicted using ACDLabs Software