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Ethyl 4 - (1-Hydroxy -1 - Methyl Ethyl ) -2-Propyl-Imidazole-5-Carboxylate manufacturers and suppliers on PharmaCompass

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Ethyl 4 - (1-Hydroxy -1 - Methyl Ethyl ) -2-Propyl-Imidazole-5-Carboxylate
Also known as: Akos033662426, Zinc225696306, Z1913691094, 1808823-02-0
Molecular Formula
C16H15N3O3S
Molecular Weight
329.4  g/mol
InChI Key
KABJBCXRECTLLG-UHFFFAOYSA-N

1 2D Structure

Ethyl 4 - (1-Hydroxy -1 - Methyl Ethyl ) -2-Propyl-Imidazole-5-Carboxylate

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
4-[(3-aminopyrazin-2-yl)sulfanylmethyl]-6-ethyl-7-hydroxychromen-2-one
2.1.2 InChI
InChI=1S/C16H15N3O3S/c1-2-9-5-11-10(6-14(21)22-13(11)7-12(9)20)8-23-16-15(17)18-3-4-19-16/h3-7,20H,2,8H2,1H3,(H2,17,18)
2.1.3 InChI Key
KABJBCXRECTLLG-UHFFFAOYSA-N
2.1.4 Canonical SMILES
CCC1=CC2=C(C=C1O)OC(=O)C=C2CSC3=NC=CN=C3N
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. Akos033662426

2. Zinc225696306

3. Z1913691094

4. 1808823-02-0

2.3 Create Date
2015-12-11
3 Chemical and Physical Properties
Molecular Weight 329.4 g/mol
Molecular Formula C16H15N3O3S
XLogP31.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count4
Exact Mass329.08341252 g/mol
Monoisotopic Mass329.08341252 g/mol
Topological Polar Surface Area124 Ų
Heavy Atom Count23
Formal Charge0
Complexity474
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1
Flag India
Digital Content Digital Content
URL Supplier Web Content
144689-93-9
VASUDHA PHARMA CHEM LIMITED was incorporated, as a public limited company under the Companies Act, 1956 i...
VASUDHA PHARMA CHEM LIMITED was incorporated, as a public limited company under the Companies Act, 1956 in 1994-95 at Hyderabad in the state of Telangana, India. The company is engaged in the manufacturing of Active Pharmaceutical Ingredients (APIs), Pharma Intermediates for catering to the Global market. Initially, the focus was on the development of cost effective processes for several intermediates related to piperidone & piperidine derivatives. By 2003-04, the company gained world class expertise and became the largest manufacturer of piperidone & piperidine derivatives in the world.
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