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Technical details about 7-Amino-3-Vinyl-3-Cephem-4-Carboxylic Acid, learn more about the structure, uses, toxicity, action, side effects and more

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2D Structure
1. 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

2D Structure

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 Weight 226.25 g/mol
Molecular Formula C9H10N2O3S
XLogP3-2.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count2
Exact Mass226.04121336 g/mol
Monoisotopic Mass226.04121336 g/mol
Topological Polar Surface Area109 Ų
Heavy Atom Count15
Formal Charge0
Complexity391
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1
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