Name: 2'-Dihydro Boceprevir-[d9] (Boceprevir Metabolite M28-d9+M31-d9 (Mixture of Diastereomers))
Brand: BOC Sciences
Rating: 5 (1 reviews)

General Information

Catalog: BLP-006348

CAS: 1373318-85-4

Molecular Formula: C27H38D9N5O5

Molecular Weight: 530.75

Chemical Structure

2'-Dihydro Boceprevir-[d9] (Boceprevir Metabolite M28-d9+M31-d9 (Mixture of Diastereomers))

Description	2'-Dihydro Boceprevir-[d9] (Boceprevir Metabolite M28-d9+M31-d9 (Mixture of Diastereomers)) is the labelled analogue of 2'-Dihydro Boceprevir (Boceprevir Metabolite M28+M31 (Mixture of Diastereomers)), which is a metabolite of Boceprevir.
Synonyms	2'-Dihydro Boceprevir-d9 (Boceprevir Metabolite M28-d9+M31-d9 (Mixture of Diastereomers)); (1R,2S,5S)-N-[3-amino-1-(cyclobutylmethyl)-2-hydroxy-3-oxopropyl]-3-[(2S)-2-[[[(1,1-dimethylethyl-d9)amino]carbonyl]amino]-3,3-dimethyl-1-oxobutyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide; (1R,2S,5S)-N-(4-amino-1-cyclobutyl-3-hydroxy-4-oxobutan-2-yl)-3-((S)-2-(3-tert-butylureido)-3,3-dimethylbutanoyl)-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide-d9
IUPAC Name	(1R,2S,5S)-N-(4-amino-1-cyclobutyl-3-hydroxy-4-oxobutan-2-yl)-3-[(2S)-2-[[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]carbamoylamino]-3,3-dimethylbutanoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide
Related CAS	394735-28-5 (unlabelled)
Canonical SMILES	CC1(C2C1C(N(C2)C(=O)C(C(C)(C)C)NC(=O)NC(C)(C)C)C(=O)NC(CC3CCC3)C(C(=O)N)O)C
InChI	InChI=1S/C27H47N5O5/c1-25(2,3)20(30-24(37)31-26(4,5)6)23(36)32-13-15-17(27(15,7)8)18(32)22(35)29-16(19(33)21(28)34)12-14-10-9-11-14/h14-20,33H,9-13H2,1-8H3,(H2,28,34)(H,29,35)(H2,30,31,37)/t15-,16?,17-,18-,19?,20+/m0/s1/i4D3,5D3,6D3
InChI Key	FEBWCINGHXXUCV-SGSZLEPGSA-N
Solubility	Soluble in DMSO
Appearance	Off-white Solid
Storage	Store at 2-8°C