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Remdesivir O-desphosphate acetonide impurity - 99%, high purity , CAS No.1191237-80-5

    Grade & Purity:
  • ≥99%
In stock
Item Number
R646844
Grouped product items
SKU Size
Availability
Price Qty
R646844-100mg
100mg
Available within 8-12 weeks(?)
Production requires sourcing of materials. We appreciate your patience and understanding.
$170.90
R646844-500mg
500mg
Available within 8-12 weeks(?)
Production requires sourcing of materials. We appreciate your patience and understanding.
$600.90

Basic Description

Specifications & Purity ≥99%
Biochemical and Physiological Mechanisms Remdesivir O-desphosphate acetonide impurity is an impurity of Remdesivir. Remdesivir (GS-5734), a nucleoside analogue with effective antiviral activity and is highly effective in the control of SARS-CoV-2 (COVID-19) infection in vitro.
Storage Temp Store at -20°C
Shipped In
Ice chest + Ice pads
This product requires cold chain shipping. Ground and other economy services are not available.
Product Description

Remdesivir O-desphosphate acetonide impurity is an impurity of Remdesivir. Remdesivir (GS-5734), a nucleoside analogue with effective antiviral activity and is highly effective in the control of SARS-CoV-2 (COVID-19) infection in vitro.

In Vitro

Remdesivir O-desphosphate acetonide impurity (analogue 21) is a 2′,3′-acetonide protected analogue of Remdesivir. MCE has not independently confirmed the accuracy of these methods. They are for reference only.

Form:Solid

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
Superclass Organoheterocyclic compounds
Class Pyrrolotriazines
Subclass Pyrrolo[2,1-f][1,2,4]triazines
Intermediate Tree Nodes Not available
Direct Parent Pyrrolo[2,1-f][1,2,4]triazines
Alternative Parents Ketals  Substituted pyrroles  Primary aromatic amines  1,2,4-triazines  Imidolactams  Monosaccharides  1,3-dioxolanes  Heteroaromatic compounds  Oxolanes  Azacyclic compounds  Dialkyl ethers  Oxacyclic compounds  Nitriles  Hydrocarbon derivatives  Primary alcohols  Organopnictogen compounds  
Molecular Framework Aromatic heteropolycyclic compounds
Substituents Pyrrolo[2,1-f][1,2,4]triazine - Ketal - Monosaccharide - Primary aromatic amine - Substituted pyrrole - Triazine - Imidolactam - 1,2,4-triazine - Heteroaromatic compound - Meta-dioxolane - Oxolane - Pyrrole - Oxacycle - Azacycle - Dialkyl ether - Acetal - Ether - Carbonitrile - Nitrile - Amine - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Primary alcohol - Cyanide - Primary amine - Organopnictogen compound - Hydrocarbon derivative - Organic nitrogen compound - Alcohol - Aromatic heteropolycyclic compound
Description This compound belongs to the class of organic compounds known as pyrrolo[2,1-f][1,2,4]triazines. These are aromatic heterocyclic compounds containing a pyrrolo[2,1-f][1,2,4]triazine ring system. Pyrrolo[2,1-f][1,2,4]triazine consists of a 1,2,4-triazine ring fused to and sharing the N2-atom with a pyrrole ring.
External Descriptors Not available

Names and Identifiers

IUPAC Name (3aR,4R,6R,6aR)-4-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-6-(hydroxymethyl)-2,2-dimethyl-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxole-4-carbonitrile
INCHI InChI=1S/C15H17N5O4/c1-14(2)23-11-9(5-21)22-15(6-16,12(11)24-14)10-4-3-8-13(17)18-7-19-20(8)10/h3-4,7,9,11-12,21H,5H2,1-2H3,(H2,17,18,19)/t9-,11-,12-,15+/m1/s1
InChIKey IJCOKJGMVJGKBB-CGEWXTDFSA-N
Smiles CC1(OC2C(OC(C2O1)(C#N)C3=CC=C4N3N=CN=C4N)CO)C
Isomeric SMILES CC1(O[C@@H]2[C@H](O[C@@]([C@@H]2O1)(C#N)C3=CC=C4N3N=CN=C4N)CO)C
Alternate CAS 1191237-80-5
PubChem CID 58527338
Molecular Weight 331.33

Certificates(CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:

Chemical and Physical Properties

Solubility DMSO : 100 mg/mL (301.81 mM; Need ultrasonic)
Molecular Weight 331.330 g/mol
XLogP3 -1.000
Hydrogen Bond Donor Count 2
Hydrogen Bond Acceptor Count 8
Rotatable Bond Count 2
Exact Mass 331.128 Da
Monoisotopic Mass 331.128 Da
Topological Polar Surface Area 128.000 Ų
Heavy Atom Count 24
Formal Charge 0
Complexity 565.000
Isotope Atom Count 0
Defined Atom Stereocenter Count 4
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
The total count of all stereochemical bonds 0
Covalently-Bonded Unit Count 1

Solution Calculators

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