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CAS 124832-31-1

Chemistry, 4 End Use API, 6 Related Intermediates

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Also known as:

Molecular Formula

C₂₁H₂₆N₆O₆

Molecular Weight

458.5 g/mol

InChI Key

ZQSUAJRZJTUOEA-HNNXBMFYSA-N

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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CAS Number

17342-08-4

End Use API

USV is a leading health care company with focus on Active Pharmaceutical Ingredients (marketed globally w...

USV is a leading health care company with focus on Active Pharmaceutical Ingredients (marketed globally with emphasis on regulated markets of USA, European Union and Japan), Branded Generics and Bio-therapeutics. USV also specializes in Research and Development in Biotechnology, Drug Delivery and Chemistry.31 APIs are currently on offer, 13 are in advanced stages of development and 14 are under development. Segments covered include Diabetes, Cardiology, CNS, Oncology, Dermatology and Ophthalmology.