Velpatasvir

CAT: 0572-TRC-V116000-25MGSize: 25 mgDry Ice: NoHazardous: No

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CAT#:0572-TRC-V116000-25MGSize:25 mg

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24/48H Stock Items & 2 to 6 Weeks non Stock Items.

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CAS Number

1377049-84-7

Synonyms

GS 5816; Methyl [(2S)-1-[(2S,5S)-2-[9-[2-[(2S,4S)-1-[(2R)-2-[(Methoxycarbonyl)amino]-2-phenylacetyl]-4-(methoxymethyl)pyrrolidin-2-yl]-1H-imidazol-5-yl]-1,11-dihydroisochromeno[4',3':6,7]naphtho[1,2-d]imidazol-2-yl]-5-methylpyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;

Hazard Statement

Causes skin irritation.

Purity

>95% (HPLC)

Smiles

CC([C@H](NC(OC)=O)C(N1[C@H](CC[C@H]1C2=NC3=C(N2)C4=CC5=C(C6=C(CO5)C=C(C7=CN=C(N7)[C@@H]8C[C@H](COC)CN8C([C@H](NC(OC)=O)C9=CC=CC=C9)=O)C=C6)C=C4C=C3)C)=O)C

Molecular Formula

C49H54N8O8

Molecular Weight

883

Shipping Conditions

Room Temperature

Storage Conditions

-20°C

Chemical Information

Velpatasvir

Velpatasvir is a complex organic heteropentacyclic compound that is a hepatitis C virus nonstructural protein 5A inhibitor used in combination with sofosbuvir (under the brand name Epclusa) for treatment of patients with chronic hepatitis C of all six major genotypes. It has a role as an antiviral drug and a hepatitis C virus nonstructural protein 5A inhibitor. It is a carbamate ester, a member of imidazoles, an ether, a ring assembly, an organic heteropentacyclic compound, a N-acylpyrrolidine and a L-valine derivative.

CAS Number	1377049-84-7
PubChem CID	67683363
IUPAC Name	methyl N-[(1R)-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 Formula	C49H54N8O8
Molecular Weight	883.0
XLogP	6.2
Topological Polar Surface Area	193
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	10
Rotatable Bond Count	13
Heavy Atom Count	65
Formal Charge	0
Complexity	1690

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-CDIODLITSA-N

Chemical Structure

2D Structure

CAS: 1377049-84-7

CID: 67683363

Formula: C49H54N8O8

MW: 883.0

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	883.0
XLogP3	6.2
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	10
Rotatable Bond Count	13
Exact Mass	882.40646071
Monoisotopic Mass	882.40646071
Topological Polar Surface Area	193 Å²
Heavy Atom Count	65
Formal Charge	0
Complexity	1690
Isotope Atom Count	0
Defined Atom Stereocenter Count	6
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Alternative Products

Catalog	Name
468611-01	Velpatasvir
CS-O-39599	Velpatasvir copovidone
468613	Velpatasvir-d5
A17302-200	Velpatasvir 200mg
A17302-25	Velpatasvir 25mg

Velpatasvir

Chemical Information

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