Velpatasvir | CAS No. 1377049-84-7

Velpatasvir

Basic Information

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CAS Number

1377049-84-7

Molecular Formula

C49H54N8O8

Molecular Weight

883.02 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Ethers

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Laboratory Chemicals Research Chemicals Biochemical Reagents

Basic Physical Properties

Solubility

Insuluble (1.7E-4 g/L) (25 ºC),

SMILES

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C[C@H]1CC[C@H](N1C(=O)[C@H](C(C)C)NC(=O)OC)c2[nH]c3c(n2)ccc4c3cc5c(c4)-c6ccc(cc6CO5)c7c[nH]c(n7)[C@@H]8C[C@@H](CN8C(=O)[C@@H](c9ccccc9)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

LogP

7.731500000000008

Topological Polar Surface Area

193.09999999999997 Å²

Hydrogen Bond Donor/Acceptor

4 / 16

Complexity

1690

Safety Information

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Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Synonyms & References

English

GS-5816
Velpatasvir
Velpatasvirr
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
GS5816
KCU0C7RS7Z
Velpatasvir [USAN:INN]
Methyl [(2S)-1-[(2S,5S)-2-[9-[2-[(2S,4S)-1-[(2R)-2-[(methoxycarbonyl)amino]-2-phenylacetyl]-4-(methoxymethyl)pyrrolidin-2-yl]-1H-imi
methyl ((R)-2-((2S,4S)-2-(4-(2-((2S,5S)-1-((methoxycarbonyl)-L-valyl)-5-methylpyrrolidin-2-yl)-1,11-dihydroisochromeno[4',3':6,7] naphtho[1,2-d]imidazol-9-yl)-1H-imidazol-2-yl)-4-(methoxymethyl)pyrrolidin-1-yl)-2-oxo-1-phenylethyl)carbamate

MDL Number

MFCD28411371

FAQ

What regulatory guidelines apply to Velpatasvir (CAS: 1377049-84-7)?

Velpatasvir (CAS: 1377049-84-7) must comply with various regulatory guidelines. In the European Union, it is subject to REACH regulations. In the United States, it must meet FDA and EPA requirements. Additionally, it should adhere to GHS classification standards for handling and storage.

Are there alternatives to Velpatasvir (CAS: 1377049-84-7) in synthesis?

In synthesis, alternatives to Velpatasvir include other direct-acting antiviral agents such as sofosbuvir and daclatasvir. These alternatives often serve similar therapeutic purposes and can be used as substitutes depending on the specific requirements and constraints of the synthesis process.

What is the market or research trend for Velpatasvir (CAS: 1377049-84-7)?

The market trend for Velpatasvir (CAS: 1377049-84-7) is positive, driven by its effectiveness in treating chronic hepatitis C. Research trends focus on understanding its mechanisms of action, exploring new formulations, and investigating its use in combination with other antiviral agents to broaden its therapeutic applications.

How should waste containing Velpatasvir (CAS: 1377049-84-7) be handled?

Waste containing Velpatasvir (CAS: 1377049-84-7) should be collected in appropriate containers and labeled as hazardous waste. It should be stored in a secure area away from incompatible substances. Proper incineration or professional disposal services should be used to ensure safe disposal. Environmental protection measures, such as minimizing exposure and runoff, should be followed to prevent pollution.