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Saquinavir mesylate

Saquinavir mesylate structure

CAS No:
149845-06-7
Formula:
C38H50N6O5.CH4O3S
Chemical Name:
Saquinavir mesylate
Synonyms:
Butanediamide,N1-[(1S,2R)-3-[(3S,4aS,8aS)-3-[[(1,1-dimethylethyl)amino]carbonyl]octahydro-2(1H)-isoquinolinyl]-2-hydroxy-1-(phenylmethyl)propyl]-2-[(2-quinolinylcarbonyl)amino]-,(2S)-,methanesulfonate (1:1);Butanediamide,N1-[3-[3-[[(1,1-dimethylethyl)amino]carbonyl]octahydro-2(1H)-isoquinolinyl]-2-hydroxy-1-(phenylmethyl)propyl]-2-[(2-quinolinylcarbonyl)amino]-,[3S-[2[1R*(R*),2S*],3α,4aβ,8aβ]]-,monomethanesulfonate (salt);Butanediamide,N1-[(1S,2R)-3-[(3S,4aS,8aS)-3-[[(1,1-dimethylethyl)amino]carbonyl]octahydro-2(1H)-isoquinolinyl]-2-hydroxy-1-(phenylmethyl)propyl]-2-[(2-quinolinylcarbonyl)amino]-,(2S)-,monomethanesulfonate (salt);Ro 31-8959/003;Saquinavir mesylate;Invirase
Categories:
Analytical Chemistry > Standard

Description

White Crystalline Solid

Saquinavir mesylate is an organic molecular entity.|Saquinavir Mesylate is the mesylate salt form of saquinavir, a peptidomimetic inhibitor of human immunodeficiency virus (HIV) protease.|An HIV protease inhibitor which acts as an analog of an HIV protease cleavage site. It is a highly specific inhibitor of HIV-1 and HIV-2 proteases, and also inhibits CYTOCHROME P-450 CYP3A.

Saquinavir mesylate Basic Attributes

Molecular Weight：

766.95

Exact Mass：

766.372375

UNII：

UHB9Z3841A

DSSTox ID：

DTXSID9023835

NCI Thesaurus Code：

C1602

ATC Code：

J05AE01

HScode：

2933492250

Characteristics

PSA：

230

XLogP3：

5.48810

Appearance：

white to tan

Melting Point：

241 °C (decomp)

Boiling Point：

1015ºC at 760 mmHg

Flash Point：

567.7ºC

Water Solubility：

DMSO: ≥5mg/mL

Storage Conditions：

-20°C Freezer

Vapor Pressure：

0mmHg at 25°C

Safety Information

Transport codes：

NONH for all modes of transport

wgk germany：

Drug Information

Drug Indication：

Invirase is indicated for the treatment of HIV-1-infected adult patients. Invirase should only be given in combination with ritonavir and other antiretroviral medicinal products.|Fortovase is indicated for treatment of HIV-1 infected adult patients. Fortovase should only be given in combination with ritonavir and other antiretroviral medicinal products (see section 4.2).

MeSH：

Inhibitors of HIV PROTEASE, an enzyme required for production of proteins needed for viral assembly. (See all compounds classified as HIV Protease Inhibitors.)|Drugs and compounds which inhibit or antagonize the biosynthesis or actions of CYTOCHROME P-450 CYP3A. (See all compounds classified as Cytochrome P-450 CYP3A Inhibitors.)

MeSH Entry Terms：

Invirase

Saquinavir mesylate Use and Manufacturing

Uses

Antiviral;Protease inhibitor

Use Classification：

Human drugs -> Invirase -> EMA Drug Category|Antivirals for systemic use -> Human pharmacotherapeutic group|Human drugs -> Fortovase -> EMA Drug Category|Human Drugs -> FDA Approved Drug Products with Therapeutic Equivalence Evaluations (Orange Book) -> Active Ingredients

Computed Properties

Molecular Weight:766.9
Hydrogen Bond Donor Count:6
Hydrogen Bond Acceptor Count:10
Rotatable Bond Count:13
Exact Mass:766.37238388
Monoisotopic Mass:766.37238388
Topological Polar Surface Area:230
Heavy Atom Count:54
Complexity:1230
Defined Atom Stereocenter Count:6
Covalently-Bonded Unit Count:2
Compound Is Canonicalized:Yes

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Saquinavir mesylate

CAS No.: 149845-06-7

Content: 99.00%

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