Analyte Name

N-Boc-(1S)-3-[3-(3-(isopropyl-d6)-5-methyl-4H-1,2,4-triazol-4-yl)-exo-8-azabicyclo[3.2.1]oct-8-yl]-1-phenyl-1-propanamine

CAS Number

1217525-03-5

Molecular Formula

C27H35D6N5O2

Molecular Weight

473.68

Accurate Mass

473.3637

SMILES

[2H]C([2H])([2H])C(c1nnc(C)n1C2CC3CCC(C2)N3CC[C@H](NC(=O)OC(C)(C)C)c4ccccc4)C([2H])([2H])[2H]

InChI

InChI=1S/C27H41N5O2/c1-18(2)25-30-29-19(3)32(25)23-16-21-12-13-22(17-23)31(21)15-14-24(20-10-8-7-9-11-20)28-26(33)34-27(4,5)6/h7-11,18,21-24H,12-17H2,1-6H3,(H,28,33)/t21?,22?,23?,24-/m0/s1/i1D3,2D3

IUPAC

tert-butyl N-[(1S)-3-[3-[3-(1,1,1,3,3,3-hexadeuteriopropan-2-yl)-5-methyl-1,2,4-triazol-4-yl]-8-azabicyclo[3.2.1]octan-8-yl]-1-phenylpropyl]carbamate

Alternate CAS Number

[376348-70-8

Unlabelled CAS Number

376348-70-8

SIL Type

Deuterium

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat