Iol Chemicals And Pharmaceuticals

CAS 79349-82-9

Chemistry, 3 End Use API, 19 Related Intermediates

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3 Suppliers

3 Suppliers

Also known as: 79349-82-9, 7-avca, 7-amino-3-vinyl-3-cephem-4-carboxylic acid, (6r,7r)-7-amino-3-ethenyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, Schembl5284761, Dtxsid80428501

Molecular Formula

C₉H₁₀N₂O₃S

Molecular Weight

226.25 g/mol

InChI Key

GQLGFBRMCCVQLU-SVGQVSJJSA-N

1 2D Structure

CAS 79349-82-9

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

(6R,7R)-7-amino-3-ethenyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

2.1.2 InChI

InChI=1S/C9H10N2O3S/c1-2-4-3-15-8-5(10)7(12)11(8)6(4)9(13)14/h2,5,8H,1,3,10H2,(H,13,14)/t5-,8-/m1/s1

2.1.3 InChI Key

GQLGFBRMCCVQLU-SVGQVSJJSA-N

2.1.4 Canonical SMILES

C=CC1=C(N2C(C(C2=O)N)SC1)C(=O)O

2.1.5 Isomeric SMILES

C=CC1=C(N2[C@@H]([C@@H](C2=O)N)SC1)C(=O)O

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 79349-82-9

2. 7-avca

3. 7-amino-3-vinyl-3-cephem-4-carboxylic Acid

4. (6r,7r)-7-amino-3-ethenyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic Acid

5. Schembl5284761

6. Dtxsid80428501

7. Amy28675

8. Zinc4554513

9. Mfcd07782149

10. Akos015892740

11. Ac-5550

12. (6r-trans)-7-amino-3-ethenyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic Acid

13. As-14226

14. Cs-0144678

15. 7beta-amino-3-vinyl-3-cephem-4-carboxylic Acid

16. 349a829

17. 7beta-amino-3-vinylcepham-3-ene-4-carboxylic Acid

18. (6r,7r)-7-amino-8-oxo-3-vinyl-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylicacid

2.3 Create Date

2006-07-29

3 Chemical and Physical Properties

Molecular Formula	C₉H₁₀N₂O₃S
Molecular Weight	226.25 g/mol
XLogP3	-2.8
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	2
Exact Mass	226.04121336 g/mol
Monoisotopic Mass	226.04121336 g/mol
Topological Polar Surface Area	109 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	391
Isotope Atom Count	0
Defined Atom Stereocenter Count	2
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1

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IOL Chemicals is an innovation-driven bulk drug, Intermediate and Specialty Chemicals company.

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CAS Number

246035-38-1

End Use API

With a history spanning over three decades, IOL Chemicals and Pharmaceuticals Limited is an innovation-dr...

With a history spanning over three decades, IOL Chemicals and Pharmaceuticals Limited is an innovation-driven company that specializes in bulk drugs, intermediates and specialty chemicals. As an API-based company, IOL Chemicals has substantial manufacturing capacities that provide economies of scale and cost advantages. It also has extensive expertise in specialty chemicals. IOL Chemicals’ API portfolio includes various therapeutic categories such as pain management, anti-diabetic, anti-hypertensive and anti-convulsant. IOL Chemicals is a backward-integrated company that produces all intermediates and key starting materials for ibuprofen.