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Velpatasvir Impurity 22

CAT: 1459-CS-EO-02995Size: 1 EachDry Ice: NoHazardous: No
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Description
Velpatasvir Impurity 22 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-EO-02995. 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
1377049-43-8
Synonyms
Velpatasvir Impurity 22
Molecular Formula
C 45 H 54 N 8 O 7
Molecular Weight
819
Additionnal Information
Velpatasvir Impurity 22 is supplied with detailed characterization data compliant with regulatory guideline. Velpatasvir Impurity 22 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

Desmethyl Methoxymethyl (2S)-Desphenyl Isopropyl Velpatasvir
CAS Number1377049-43-8
PubChem CID67683162
IUPAC Namemethyl N-[(2S)-1-[(2S,5S)-2-[17-[2-[(2S,5S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]-5-methylpyrrolidin-2-yl]-1H-imidazol-5-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-6-yl]-5-methylpyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate
Molecular FormulaC45H54N8O7
Molecular Weight819.0
XLogP6.5
Topological Polar Surface Area184
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count9
Rotatable Bond Count11
Heavy Atom Count60
Formal Charge0
Complexity1570
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]8CC[C@@H](N8C(=O)[C@H](C(C)C)NC(=O)OC)C
InChI
InChI=1S/C45H54N8O7/c1-22(2)37(50-44(56)58-7)42(54)52-24(5)9-15-34(52)40-46-20-33(48-40)27-11-13-29-28(17-27)21-60-36-19-30-26(18-31(29)36)12-14-32-39(30)49-41(47-32)35-16-10-25(6)53(35)43(55)38(23(3)4)51-45(57)59-8/h11-14,17-20,22-25,34-35,37-38H,9-10,15-16,21H2,1-8H3,(H,46,48)(H,47,49)(H,50,56)(H,51,57)/t24-,25-,34-,35-,37-,38-/m0/s1
InChIKey
DJVIVJVKYOMANY-GEWDOAPNSA-N
Chemical Structure
2D Structure
2D structure of Desmethyl Methoxymethyl (2S)-Desphenyl Isopropyl Velpatasvir
CAS: 1377049-43-8
CID: 67683162
Formula: C45H54N8O7
MW: 819.0
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight819.0
XLogP36.5
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count9
Rotatable Bond Count11
Exact Mass818.41154609
Monoisotopic Mass818.41154609
Topological Polar Surface Area184 Ų
Heavy Atom Count60
Formal Charge0
Complexity1570
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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