Product Name :
Tianeptine Metabolite MC5-d4 Methyl Ester

Description:
Product information

CAS:
1216799-00-6

Molecular Weight:
426.95

Formula:
C20H23ClN2O4S

Chemical Name:
methyl 5-({6-chloro-10-methyl-9,9-dioxo-9λ⁶-thia-10-azatricyclo[9.4.0.0³,⁸]pentadeca-1(15),3,5,7,11,13-hexaen-2-yl}amino)(3,3,4,4-²H₄)pentanoate

Smiles :
[2H]C([2H])(CC(=O)OC)C([2H])([2H])CNC1C2=CC=C(Cl)C=C2S(=O)(=O)N(C)C2=CC=CC=C21

InChiKey:
LMFWHCAIQATTKM-NZLXMSDQSA-N

InChi :
InChI=1S/C20H23ClN2O4S/c1-23-17-8-4-3-7-15(17)20(22-12-6-5-9-19(24)27-2)16-11-10-14(21)13-18(16)28(23,25)26/h3-4,7-8,10-11,13,20,22H,5-6,9,12H2,1-2H3/i5D2,6D2

Purity:
≥98% (or refer to the Certificate of Analysis)

Shipping Condition:
Shipped under ambient temperature as non-hazardous chemical or refer to Certificate of Analysis

Storage Condition :
Dry, dark and -20 oC for 1 year or refer to the Certificate of Analysis.

Shelf Life:
≥12 months if stored properly.

Stock Solution Storage:
0 – 4 oC for 1 month or refer to the Certificate of Analysis.

Additional information:
Product information|CAS Number: 1216799-00-6|Molecular Weight: 426.95|Formula: C20H23ClN2O4S|Chemical Name: methyl 5-({6-chloro-10-methyl-9,9-dioxo-9λ⁶-thia-10-azatricyclo[9.OXi8007 4.Piperlongumine 0.PMID:35227773 0³,⁸]pentadeca-1(15),3,5,7,11,13-hexaen-2-yl}amino)(3,3,4,4-²H₄)pentanoate|Smiles: [2H]C([2H])(CC(=O)OC)C([2H])([2H])CNC1C2=CC=C(Cl)C=C2S(=O)(=O)N(C)C2=CC=CC=C21|InChiKey: LMFWHCAIQATTKM-NZLXMSDQSA-N|InChi: InChI=1S/C20H23ClN2O4S/c1-23-17-8-4-3-7-15(17)20(22-12-6-5-9-19(24)27-2)16-11-10-14(21)13-18(16)28(23,25)26/h3-4,7-8,10-11,13,20,22H,5-6,9,12H2,1-2H3/i5D2,6D2|Technical Data|Appearance: Solid Power|Purity: ≥98% (or refer to the Certificate of Analysis)|Shipping Condition: Shipped under ambient temperature as non-hazardous chemical or refer to Certificate of Analysis|Storage Condition: Dry, dark and -20 oC for 1 year or refer to the Certificate of Analysis.|Shelf Life: ≥12 months if stored properly.|Stock Solution Storage: 0 – 4 oC for 1 month or refer to the Certificate of Analysis.|Drug Formulation: To be determined|HS Tariff Code: 382200|Products are for research use only. Not for human use.|

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