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Ledipasvir

CAS 1256388-51-8C49H54F2N8O6MW 889.0

Ledipasvir (CAS 1256388-51-8) — formula C49H54F2N8O6, molecular weight 889.0; category organic chemicals.

Product Overview

CAS Number1256388-51-8
Molecular FormulaC49H54F2N8O6
Molecular Weight889.0
LogP3.8
CategoryOrganic Chemicals

Technical Profile

What this product is

Ledipasvir is a carbon-based organic compound with CAS registry number 1256388-51-8 and molecular formula C49H54F2N8O6 (molecular weight 889.0), belonging to the organic chemicals segment of chemical raw materials.

Identification

CAS number: 1256388-51-8

Its molecular formula C49H54F2N8O6 comprises 49 C, 54 H, 2 F, 8 N, 6 O atoms.

Also known as: Ledipasvir · 雷迪帕韦

Category: organic chemicals

Frequently Asked Questions

What is the CAS number of Ledipasvir?

The CAS registry number of Ledipasvir is 1256388-51-8.

What is the molecular formula and molecular weight of Ledipasvir?

Molecular formula C49H54F2N8O6, molecular weight 889.0.

What other names is Ledipasvir known by?

It is also registered under: Ledipasvir, 雷迪帕韦.

Which category does Ledipasvir belong to?

Category: Organic Chemicals.

PubChem Public Data

Independent reference data for Ledipasvir (CAS 1256388-51-8), compiled from public chemistry databases.

Registry identifiers across databases

CAS Registry Number1256388-51-8
PubChem CID67505836
Molecular formulaC49H54F2N8O6
IUPAC namemethyl N-[(2S)-1-[(6S)-6-[5-[9,9-difluoro-7-[2-[(1R,3S,4S)-2-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]-2-azabicyclo[2.2.1]heptan-3-yl]-3H-benzimidazol-5-yl]fluoren-2-yl]-1H-imidazol-2-yl]-5-azaspiro[2.4]heptan-5-yl]-3-methyl-1-oxobutan-2-yl]carbamate
UNII (FDA)013TE6E4WV

Computed descriptors

Molecular Weight889.0
XLogP37.4
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count10
Rotatable Bond Count12
Exact Mass888.41343780
Monoisotopic Mass888.41343780
Topological Polar Surface Area175
Heavy Atom Count65

Physicochemical values on record

LogP3.8
Dissociation Constantspka1 = 4.0, pka2 = 5.0

Documented uses on record

    When used in combination with the antiviral medication [sofosbuvir], ledipasvir is indicated for the treatment of treatment of chronic hepatitis C virus (HCV) in adults and pediatric patients 3 years of age and older with the following conditions: - Genotype 1, 4, 5, or 6 infection without cirrhosis or with compensated cirrhosis. - Genotype 1 infection with decompensated cirrhosis, in combination with [ribavirin]. - Genotype 1 or 4 infection who are liver transplant recipients without cirrhosis or with compensatedBreast Feeding; Lactation; Milk, Human; Antiviral Agents; NS5A Inhibitors

    Synonyms and trade names

    Ledipasvir; 1256388-51-8; GS-5885; GS5885; GS 5885; WHO 9796; 013TE6E4WV; CHEBI:85089; DTXSID90154829; HARVONI COMPONENT LEDIPASVIR; ledipasvirum; RefChem:798885; DTXCID8077320; Ledipasvir acetonate; Ledipasvir [USAN:INN]; MFCD25976756

    Regulatory listings held on file

    GHS notification summary50% (1 / 2)

    GHS hazard classification

    GHS notification summary50% (1 / 2)
    Reported hazard statementsH371 (50%)

    This chemical does not meet GHS hazard criteria for 50% (1 of 2) of reports.

    H371 (50%): May cause damage to organs [Warning Specific target organ toxicity, single exposure]

    What the public record says

    Ledipasvir · CAS 1256388-51-8 · C49H54F2N8O6. UNII 013TE6E4WV. LogP: 3.8; Dissociation Constants: pka1 = 4.0, pka2 = 5.0.

    Physical description and handling notes

    Source: PubChem / Wikidata; the batch COA governs where values differ.

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Supplier: Jinan Shenghe Chemical Co., Ltd.

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