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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

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Environmental

Stable isotope-labeled compounds are used as environmental pollutant standards for the detection of air, water, soil, sediment and food.

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Clinical diagnostic

In addition to treating various diseases, isotopes are used for imaging, diagnosis, and newborn screening.

Organic Chemistry

Organic Chemistry

Small molecule compounds labeled with stable isotopes can be used as chemical reference for chemical identification, qualitative, quantitative, detection, etc. Various types of NMR solvents can be used to study the structure, reaction mechanism and reaction kinetics of compounds.

Metabolic Research

Metabolic Research

Stable isotope labeling allows researchers to study metabolic pathways in vivo in a safe manner.

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

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General Information
Catalog: BLP-007816
CAS: 1217525-03-5
Molecular Formula: C27H35D6N5O2
Molecular Weight: 473.68

Chemical Structure

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)

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