CAS 124832-31-1 manufacturers and suppliers on PharmaCompass

CAS 124832-31-1

Granules India Limited has high volume world-class facilities for APIs, PFIs, & FDFs, serving customers in over 80 countries.

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Jai Radhe Sales is your partner for all your sourcing needs.

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xyz-pharma-m-2024-10-07

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Egis is a Hungarian generic pharma company with 110 years history. Our activities incorporate all areas of the pharma value chain.

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Biophore is a research-driven global pharmaceutical company focused on niche APIs for the generic industry.

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xyz-pharma-m-2024-10-07

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CHEMISTRY

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BUILDING BLOCK

4 Suppliers, 4 End Use APIs, 6 Related Intermediates

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4 End Use APIs
6 Related Intermediates

Chemistry

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Also known as:

Molecular Formula

C₂₁H₂₆N₆O₆

Molecular Weight

458.5 g/mol

InChI Key

ZQSUAJRZJTUOEA-HNNXBMFYSA-N

CAS 124832-31-1

1 2D Structure

CAS 124832-31-1

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

2-[(2-amino-6-oxo-3H-purin-9-yl)methoxy]ethyl (2S)-3-methyl-2-(phenylmethoxycarbonylamino)butanoate

2.1.2 InChI

InChI=1S/C21H26N6O6/c1-13(2)15(24-21(30)33-10-14-6-4-3-5-7-14)19(29)32-9-8-31-12-27-11-23-16-17(27)25-20(22)26-18(16)28/h3-7,11,13,15H,8-10,12H2,1-2H3,(H,24,30)(H3,22,25,26,28)/t15-/m0/s1

2.1.3 InChI Key

ZQSUAJRZJTUOEA-HNNXBMFYSA-N

2.1.4 Canonical SMILES

CC(C)C(C(=O)OCCOCN1C=NC2=C1NC(=NC2=O)N)NC(=O)OCC3=CC=CC=C3

2.1.5 Isomeric SMILES

CC(C)[C@@H](C(=O)OCCOCN1C=NC2=C1NC(=NC2=O)N)NC(=O)OCC3=CC=CC=C3

2.2 Create Date

2006-10-25

3 Chemical and Physical Properties

Molecular Formula	C₂₁H₂₆N₆O₆
Molecular Weight	458.5 g/mol
XLogP3	1.6
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	12
Exact Mass	458.19138257 g/mol
Monoisotopic Mass	458.19138257 g/mol
Topological Polar Surface Area	159 A^2
Heavy Atom Count	33
Formal Charge	0
Complexity	726
Isotope Atom Count	0
Defined Atom Stereocenter Count	1
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1

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