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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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Kimia Biosciences

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Digital Content

Uridine, 4-oxime

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CAS Number

3258-02-4

End Use API

Molnupiravir

About the Company

Kimia Biosciences, established in 1993, is focused on manufacturing bulk drugs for various therapeutic se...

Kimia Biosciences, established in 1993, is focused on manufacturing bulk drugs for various therapeutic segments. With a strong emphasis on excellence and advanced technologies, Kimia aims to become a globally recognized company in both APIs and FDFs while upholding clean business practices. Kimia's state-of-the-art facilities at Village Bhondsi, Gurugram enable it to produce a wide range of APIs. Kimia also plans to establish its own facilities for lifestyle segments, adhering to international regulatory standards. Kimia aims to provide the best pharmaceutical products and support to consumers and healthcare professionals.

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