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Epi-Velpatasvir

CAT: 1459-CS-T-88143Size: 1 EachDry Ice: NoHazardous: No
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CAT#:1459-CS-T-88143Size:1 Each
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Description
Epi-Velpatasvir is listed under Impurity and is intended for analytical research, quality control and pharmaceutical reference standard applications. It is associated with Velpatasvir. The product is supplied by Clearsynth under CAT No. CS-T-88143. 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
1493768-22-1
Synonyms
Epi-Velpatasvir
Molecular Formula
C 49 H 54 N 8 O 8
Molecular Weight
883
Additionnal Information
Epi-Velpatasvir is supplied with detailed characterization data compliant with regulatory guideline. epi-Velpatasvir 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 Velpatasvir.
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

epi-Velpatasvir
CAS Number1493768-22-1
PubChem CID89911045
IUPAC Namemethyl N-[(1S)-2-[(2S,4S)-2-[5-[6-[(2S,5S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]-5-methylpyrrolidin-2-yl]-21-oxa-5,7-diazapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-1(13),2,4(8),5,9,11,14(19),15,17-nonaen-17-yl]-1H-imidazol-2-yl]-4-(methoxymethyl)pyrrolidin-1-yl]-2-oxo-1-phenylethyl]carbamate
Molecular FormulaC49H54N8O8
Molecular Weight883.0
XLogP6.2
Topological Polar Surface Area193
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count10
Rotatable Bond Count13
Heavy Atom Count65
Formal Charge0
Complexity1690
SMILES
C[C@H]1CC[C@H](N1C(=O)[C@H](C(C)C)NC(=O)OC)C2=NC3=C(N2)C=CC4=CC5=C(C=C43)OCC6=C5C=CC(=C6)C7=CN=C(N7)[C@@H]8C[C@@H](CN8C(=O)[C@H](C9=CC=CC=C9)NC(=O)OC)COC
InChI
InChI=1S/C49H54N8O8/c1-26(2)41(54-48(60)63-5)47(59)57-27(3)12-17-38(57)45-51-36-16-14-30-20-35-33-15-13-31(19-32(33)25-65-40(35)21-34(30)43(36)53-45)37-22-50-44(52-37)39-18-28(24-62-4)23-56(39)46(58)42(55-49(61)64-6)29-10-8-7-9-11-29/h7-11,13-16,19-22,26-28,38-39,41-42H,12,17-18,23-25H2,1-6H3,(H,50,52)(H,51,53)(H,54,60)(H,55,61)/t27-,28-,38-,39-,41-,42-/m0/s1
InChIKey
FHCUMDQMBHQXKK-LPXUKQBVSA-N
Chemical Structure
2D Structure
2D structure of epi-Velpatasvir
CAS: 1493768-22-1
CID: 89911045
Formula: C49H54N8O8
MW: 883.0
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight883.0
XLogP36.2
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count10
Rotatable Bond Count13
Exact Mass882.40646071
Monoisotopic Mass882.40646071
Topological Polar Surface Area193 Ų
Heavy Atom Count65
Formal Charge0
Complexity1690
Isotope Atom Count0
Defined Atom Stereocenter Count6
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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CatalogName
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CS-O-15979Velpatasvir-13C2, d6
CS-O-54024Velpatasvir Impurity 28
CS-EO-02995Velpatasvir Impurity 22
CS-O-15967Des (N- (Methoxycarbonyl) ) Velpatasvir
CS-O-15963Velpatasvir Di Isomer Impurity
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