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CAS 161798-01-2 manufacturers and suppliers on PharmaCompass

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CAS 161798-01-2
Also known as:
Molecular Formula
C14H13NO4S
Molecular Weight
291.32  g/mol
InChI Key
UIJOKDCOTANGQI-LCYFTJDESA-N

1 2D Structure

CAS 161798-01-2

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
ethyl (2Z)-2-(3-formyl-4-oxocyclohexa-2,5-dien-1-ylidene)-4-methyl-3H-1,3-thiazole-5-carboxylate
2.1.2 InChI
InChI=1S/C14H13NO4S/c1-3-19-14(18)12-8(2)15-13(20-12)9-4-5-11(17)10(6-9)7-16/h4-7,15H,3H2,1-2H3/b13-9-
2.1.3 InChI Key
UIJOKDCOTANGQI-LCYFTJDESA-N
2.1.4 Canonical SMILES
CCOC(=O)C1=C(NC(=C2C=CC(=O)C(=C2)C=O)S1)C
2.1.5 Isomeric SMILES
CCOC(=O)C1=C(N/C(=C/2\C=CC(=O)C(=C2)C=O)/S1)C
2.2 Create Date
2010-06-17
3 Chemical and Physical Properties
Molecular Weight 291.32 g/mol
Molecular Formula C14H13NO4S
XLogP31.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Exact Mass291.05652907 g/mol
Monoisotopic Mass291.05652907 g/mol
Topological Polar Surface Area97.8 A^2
Heavy Atom Count20
Formal Charge0
Complexity611
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1
Flag China
Digital Content Digital Content
URL Supplier Web Content
161798-01-2
Febuxostat
Waterstone is an international pharmaceutical company with its main operations in China. The company is ...
Waterstone is an international pharmaceutical company with its main operations in China. The company is focused in discovery, development and commercialization of innovative drugs for the treatment of liver and gastrointestinal diseases. With venture capital investments from internationally well-known firms such as BAR Capital, CID Group, Orbimed, and Acorn Camps, the company has established fully integrated capabilities from R&D, API & Finished Drug Product manufacturing to sales/marketing. The company has a strong management team with cross-border experience and advisors with expertise in drug discovery, regulatory, and GMP manufacturing. On top of the forty marked drugs in China, the company has also built a rich pipeline including Drug Master Files with U.S. FDA , candidates in phase II/III clinical tries with cFDA, and several novel preclinical stage antiviral and oncology candidates
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