Tianeptine-d12 Methyl Ester

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英文别名	Methyl 7-[(3-chloro-6-methyl-5,5-dioxido-6,11-dihydrodibenzo[c,f][1,2]thiazepin-11-yl)amino](~2~H_12_)heptanoate
CAS号	1216805-56-9
SMILES	[2H]C([2H])(C(=O)OC)C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])NC1c2ccccc2N(S(=O)(=O)c3c1ccc(c3)Cl)C
Inchi	InChI=1S/C22H27ClN2O4S/c1-25-19-10-7-6-9-17(19)22(24-14-8-4-3-5-11-21(26)29-2)18-13-12-16(23)15-20(18)30(25,27)28/h6-7,9-10,12-13,15,22,24H,3-5,8,11,14H2,1-2H3/i3D2,4D2,5D2,8D2,11D2,14D2
InchiKey	AOVSYZQNKXYQOR-SZXIOYOXSA-N
分子式 Formula	C22H15D12ClN2O4S
分子量 Molecular Weight	463
闪点 FP	294.4±32.9 ℃
沸点 Boiling point	563.2±60.0 ℃ at 760 mmHg
Polarizability极化度	47.1±0.5 10-24cm3
密度 Density	1.3±0.1 g/cm3
蒸汽压 Vapor Pressure	0.0±1.5 mmHg at 25℃
储藏条件 Storage conditions	storage at -4℃ (1-2weeks), longer storage period at -20℃ (1-2years)