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Ro 64-0802

Ro 64-0802 structure

CAS No:
187227-45-8
Formula:
C14H24N2O4
Chemical Name:
Ro 64-0802
Synonyms:
1-Cyclohexene-1-carboxylic acid,4-(acetylamino)-5-amino-3-(1-ethylpropoxy)-,(3R,4R,5S)-;1-Cyclohexene-1-carboxylic acid,4-(acetylamino)-5-amino-3-(1-ethylpropoxy)-,[3R-(3α,4β,5α)]-;(3R,4R,5S)-4-(Acetylamino)-5-amino-3-(1-ethylpropoxy)-1-cyclohexene-1-carboxylic acid;GS 4071;Ro 64-0802;Oseltamivir acid
Categories:
Analytical Chemistry > Standard

Description

White SolidChEBI: A cyclohexenecarboxylic acid that is cyclohex-1-ene-1-carboxylic acid which is substituted at positions 3, 4, and 5 by pentan-3-yloxy, acetamido, and amino groups, respectively (the 3R,4R,5S enantiomer). A antiviral drug, it is used as the corresponding ethyl ester prodrug, oseltamivir, to slow the spread of influenza.

Oseltamivir acid is a cyclohexenecarboxylic acid that is cyclohex-1-ene-1-carboxylic acid which is substituted at positions 3, 4, and 5 by pentan-3-yloxy, acetamido, and amino groups, respectively (the 3R,4R,5S enantiomer). An antiviral drug, it is used as the corresponding ethyl ester prodrug, oseltamivir, to slow the spread of influenza. It has a role as an antiviral drug, an EC 3.2.1.18 (exo-alpha-sialidase) inhibitor and a marine xenobiotic metabolite. It is a cyclohexenecarboxylic acid, an acetate ester, an amino acid and a primary amino compound.|Oseltamivir acid is a Neuraminidase Inhibitor. The mechanism of action of oseltamivir acid is as a Neuraminidase Inhibitor.

Ro 64-0802 Basic Attributes

Molecular Weight：

284.354

Exact Mass：

284.35

UNII：

K6106LV5Q8

DSSTox ID：

DTXSID50171996

ATC Code：

J05AH02

Characteristics

PSA：

102

XLogP3：

0.45

Density：

1.15±0.1 g/cm3(Predicted)

Melting Point：

185-187 °C

Boiling Point：

508.7±50.0 °C(Predicted)

Flash Point：

261.5±30.1 °C

Refractive Index：

1.525

Storage Conditions：

-20°C Freezer, Under Inert Atmosphere

Vapor Pressure：

1E-11mmHg at 25°C

Drug Information

Drug Transformations：

Oseltamivir acid is a known transformation product of Oseltamivir.

Ro 64-0802 Use and Manufacturing

Uses

Oseltamivir Acid is a metabolite of Oseltamivir (O701000).

Use Classification：

Pharmaceuticals -> Transformation products

Computed Properties

Molecular Weight:284.35
XLogP3:-1.9
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:6
Exact Mass:284.17360725
Monoisotopic Mass:284.17360725
Topological Polar Surface Area:102
Heavy Atom Count:20
Complexity:391
Defined Atom Stereocenter Count:3
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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