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4-Hydroxyphenyl Maraviroc-d6

CAT: 1459-CS-T-78479Size: 1 EachDry Ice: NoHazardous: No
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Description
4-Hydroxyphenyl Maraviroc-d6 is listed under Stable Isotopes and is intended for analytical research, quality control and pharmaceutical reference standard applications. It is associated with Maraviroc. The product is supplied by Clearsynth under CAT No. CS-T-78479. Clearsynth provides this compound for research and analytical use, with product information including CAS number, molecular formula, molecular weight and product enquiry details.
Overview
Useful research chemical for a range of applications.
CAS Number
1217513-42-2
Synonyms
4-Hydroxyphenyl Maraviroc-d6
Molecular Formula
C 29 H 35 D 6 F 2 N 5 O 2
Molecular Weight
535.71
Additionnal Information
4-Hydroxyphenyl Maraviroc-d6 is supplied with detailed characterization data compliant with regulatory guideline. 4-Hydroxyphenyl Maraviroc-d6 can be used for analytical method development, method validation (AMV), Quality Control (QC) application for Abbreviated New Drug Application (ANDA), or during commercial production of Maraviroc.
Storage Conditions
Refer MSDS for complete information.
Applications Notes
Useful research chemical for a range of applications.
HSN Code
38229010
Hazard Compound
Refer MSDS for complete information.

Chemical Information

4-Hydroxyphenyl Maraviroc-d6
CAS Number1217513-42-2
PubChem CID71749258
IUPAC Name4,4-difluoro-N-[(1S)-3-[(1R,5S)-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-(4-hydroxyphenyl)propyl]cyclohexane-1-carboxamide
Molecular FormulaC29H41F2N5O2
Molecular Weight535.7
XLogP4.8
Topological Polar Surface Area83.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count8
Heavy Atom Count38
Formal Charge0
Complexity784
SMILES
[2H]C([2H])([2H])C(C1=NN=C(N1C2C[C@H]3CC[C@@H](C2)N3CC[C@@H](C4=CC=C(C=C4)O)NC(=O)C5CCC(CC5)(F)F)C)C([2H])([2H])[2H]
InChI
InChI=1S/C29H41F2N5O2/c1-18(2)27-34-33-19(3)36(27)24-16-22-6-7-23(17-24)35(22)15-12-26(20-4-8-25(37)9-5-20)32-28(38)21-10-13-29(30,31)14-11-21/h4-5,8-9,18,21-24,26,37H,6-7,10-17H2,1-3H3,(H,32,38)/t22-,23+,24?,26-/m0/s1/i1D3,2D3
InChIKey
FWOMXCBURQJRQH-KKZUANEFSA-N
Chemical Structure
2D Structure
2D structure of 4-Hydroxyphenyl Maraviroc-d6
CAS: 1217513-42-2
CID: 71749258
Formula: C29H41F2N5O2
MW: 535.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight535.7
XLogP34.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count8
Exact Mass535.36049237
Monoisotopic Mass535.36049237
Topological Polar Surface Area83.3 Ų
Heavy Atom Count38
Formal Charge0
Complexity784
Isotope Atom Count6
Defined Atom Stereocenter Count3
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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