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
Brand: BOC Sciences
Rating: 5 (1 reviews)

General Information

Catalog: BLP-007816

CAS: 1217525-03-5

Molecular Formula: C27H35D6N5O2

Molecular Weight: 473.68

Chemical Structure

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

Description	An isotope labelled analog of N-Boc-(1S)-3-[3-(3-isopropyl-5-methyl-4H-1,2,4-triazol-4-yl)-exo-8-azabicyclo[3.2.1]oct-8-yl]-1-phenyl-1-propanamine.
Synonyms	[(1S)-3-[(3-exo)-3-[3-Methyl-5-(1-methylethyl-d6)-4H-1,2,4-triazol-4-yl]-8-azabicyclo[3.2.1]oct-8-yl]-1-phenylpropyl]carbamic Acid 1,1-Dimethylethyl Ester; tert-Butyl (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-phenylpropylcarbamate
IUPAC Name	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
Related CAS	376348-70-8 (unlabelled)
Canonical SMILES	CC1=NN=C(N1C2CC3CCC(C2)N3CCC(C4=CC=CC=C4)NC(=O)OC(C)(C)C)C(C)C
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
InChI Key	RFEKTEIXVDWMKV-AMYFSTJYSA-N
Solubility	Soluble in Chloroform, Dichloromethane, Ethyl Acetate, Methanol
Appearance	Pale Yellow Solid (Foam)