Nazwa analitu

N-Heptanoic Acid Tianeptine Disodium Salt-d12

Wzór cząsteczkowy

C28H23D12ClN2Na2O6S

Masa cząsteczkowa

621.16

Dokładna masa

620.25

SMILES

ClC1=CC=C(C(N(C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([O-])=O)CCCCCCC([O-])=O)C(C=CC=C2)=C2N(C)S3(=O)=O)C3=C1.[Na+].[Na+]

InChI

InChI=1S/C28H37ClN2O6S.2Na/c1-30-24-13-9-8-12-22(24)28(23-17-16-21(29)20-25(23)38(30,36)37)31(18-10-4-2-6-14-26(32)33)19-11-5-3-7-15-27(34)35;;/h8-9,12-13,16-17,20,28H,2-7,10-11,14-15,18-19H2,1H3,(H,32,33)(H,34,35);;/q;2*+1/p-2/i2D2,4D2,6D2,10D2,14D2,18D2;;

IUPAC

sodium 7-((6-carboxylatohexyl)(3-chloro-6-methyl-5,5-dioxido-6,11-dihydrodibenzo[c,f][1,2]thiazepin-11-yl)amino)heptanoate-2,2,3,3,4,4,5,5,6,6,7,7-d12

Nieoznakowany numer CAS

363138-43-6

Typ SIL

Deuterium

Temperatura podczas transportu

Room Temperature

Kraj pochodzenia

CANADA

Rodzaj produktu

Stable Isotope Labelled

Postać produktu

Neat