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CAS 2346620-54-8

CAS 2346620-54-8

Chemistry, 1 End Use API, 5 Related Intermediates

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CAS 2346620-54-8

Also known as: 2346620-54-8, Cs-0143220, [(3ar,4r,6r,6ar)-2,2-dimethyl-6-[2-oxo-4-(1h-1,2,4-triazol-1-yl)-1,2-dihydropyrimidin-1-yl]-tetrahydro-2h-furo[3,4-d][1,3]dioxol-4-yl]methyl 2-methylpropanoate

Molecular Formula

C₁₈H₂₃N₅O₆

Molecular Weight

405.4 g/mol

InChI Key

KHRVXGYHTALJEX-NMFUWQPSSA-N

1 2D Structure

CAS 2346620-54-8

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

[(3aR,4R,6R,6aR)-2,2-dimethyl-4-[2-oxo-4-(1,2,4-triazol-1-yl)pyrimidin-1-yl]-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methyl 2-methylpropanoate

2.1.2 InChI

InChI=1S/C18H23N5O6/c1-10(2)16(24)26-7-11-13-14(29-18(3,4)28-13)15(27-11)22-6-5-12(21-17(22)25)23-9-19-8-20-23/h5-6,8-11,13-15H,7H2,1-4H3/t11-,13-,14-,15-/m1/s1

2.1.3 InChI Key

KHRVXGYHTALJEX-NMFUWQPSSA-N

2.1.4 Canonical SMILES

CC(C)C(=O)OCC1C2C(C(O1)N3C=CC(=NC3=O)N4C=NC=N4)OC(O2)(C)C

2.1.5 Isomeric SMILES

CC(C)C(=O)OC[C@@H]1[C@@H]2[C@H]([C@@H](O1)N3C=CC(=NC3=O)N4C=NC=N4)OC(O2)(C)C

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 2346620-54-8

2. Cs-0143220

3. [(3ar,4r,6r,6ar)-2,2-dimethyl-6-[2-oxo-4-(1h-1,2,4-triazol-1-yl)-1,2-dihydropyrimidin-1-yl]-tetrahydro-2h-furo[3,4-d][1,3]dioxol-4-yl]methyl 2-methylpropanoate

2.3 Create Date

2019-12-06

3 Chemical and Physical Properties

Molecular Formula	C₁₈H₂₃N₅O₆
Molecular Weight	405.4 g/mol
XLogP3	0.7
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	6
Exact Mass	g/mol
Monoisotopic Mass	g/mol
Topological Polar Surface Area	117
Heavy Atom Count	29
Formal Charge	0
Complexity	738
Isotope Atom Count	0
Defined Atom Stereocenter Count	4
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1

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Digital Content

(((3aR,4R,6R,6aR)6-(( 4 hydroxyimino 2 oxo 3,4 dihydrop...

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CAS Number

2346620-55-9

End Use API

Molnupiravir

About the Company

Synaptics Labs Private Limited is a young Pharmaceutical Company with a fully integrated and globally spe...

Synaptics Labs Private Limited is a young Pharmaceutical Company with a fully integrated and globally specialized in the development, production and marketing of API’s "Active Pharmaceuticals Ingredients" and its advanced Intermediates, thanks to our focus on satisfying our customers' requirements and supporting the consolidation of a robust infrastructure. The Company promoted by a team of technocrats holding a master’s degree in pharmaceuticals and who have been involved in different Pharmaceutical companies since 24years.

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