Arterolane-d6 Tosylate Salt

Analyte Name

Arterolane-d6 Tosylate Salt

Molecular Formula

C29H38D6N2O7S

Molecular Weight

570.77

Accurate Mass

570.32

SMILES

O=C(NCC(N)(C([2H])([2H])[2H])C([2H])([2H])[2H])C[C@H](CC1)CC[C@]1(OO2)OC32[C@H]4C[C@@H]5C[C@@H](C[C@H]3C5)C4.O=S(C6=CC=C(C)C=C6)(O)=O

InChI

InChI=1S/C22H36N2O4.C7H8O3S/c1-20(2,23)13-24-19(25)12-14-3-5-21(6-4-14)26-22(28-27-21)17-8-15-7-16(10-17)11-18(22)9-15;1-6-2-4-7(5-3-6)11(8,9)10/h14-18H,3-13,23H2,1-2H3,(H,24,25);2-5H,1H3,(H,8,9,10)/t14-,15-,16+,17-,18+,21+,22-;/i1D3,2D3;

IUPAC

N-(2-amino-2-(methyl-d3)propyl-3,3,3-d3)-2-((1R,3R,4''S,5R,5's,7R)-dispiro[adamantane-2,3'-[1,2,4]trioxolane-5',1''-cyclohexan]-4''-yl)acetamide 4-methylbenzenesulfonate

Unlabelled CAS Number

664338-40-3 (salt); 664338-39-0 (free amine/base)

SIL Type

Deuterium

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat