Structure & Deep Data of Cefteram pivoxil (C22H27N9O7S2)
Identification of Cefteram pivoxil Chemical Compound
Chemical Formula | C22H27N9O7S2 |
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Molecular Weight | 593.63588 g/mol |
IUPAC Name | {[(6R,7R)-7-[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetamido]-3-[(5-methyl-2H-1,2,3,4-tetrazol-2-yl)methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-2-yl]carbonyloxy}methyl 2,2-dimethylpropanoate |
SMILES String | CON=C(C(=O)NC2C1SCC(=C(N1C2=O)C(=O)OCOC(=O)C(C)(C)C)Cn3nnc(C)n3)c4csc(N)n4 |
InChI | InChI=1S/C22H27N9O7S2/c1-10-26-29-30(27-10)6-11-7-39-18-14(25-16(32)13(28-36-5)12-8-40-21(23)24-12)17(33)31(18)15(11)19(34)37-9-38-20(35)22(2,3)4/h8,14,18H,6-7,9H2,1-5H3,(H2,23,24)(H,25,32)/b28-13-/t14-,18-/m1/s1 |
InChIKey | UIYAXIPXULMHAI-JLGRZTKVSA-N |
Chemical Structure Description
A chemical structure of a molecule includes the arrangement of atoms and the chemical bonds that hold the atoms together. The cefteram pivoxil molecule contains a total of 70 bond(s). There are 43 non-H bond(s), 16 multiple bond(s), 12 rotatable bond(s), 6 double bond(s), 10 aromatic bond(s), 1 four-membered ring(s), 2 five-membered ring(s), 1 six-membered ring(s), 1 eight-membered ring(s), 2 ester(s) (aliphatic), 1 secondary amide(s) (aliphatic), 1 tertiary amide(s) (aliphatic), 1 oxime(s) (aromatic), 1 primary amine(s) (aromatic), 1 sulfide(s), 1 Beta-Lactam(s), and 1 Thiazole(s). Images of the chemical structure of cefteram pivoxil are given below:
The 2D chemical structure image of cefteram pivoxil is also called skeletal formula, which is the standard notation for organic molecules. The carbon atoms in the chemical structure of cefteram pivoxil are implied to be located at the corner(s) and hydrogen atoms attached to carbon atoms are not indicated – each carbon atom is considered to be associated with enough hydrogen atoms to provide the carbon atom with four bonds.
The 3D chemical structure image of cefteram pivoxil is based on the ball-and-stick model which displays both the three-dimensional position of the atoms and the bonds between them. The radius of the spheres is therefore smaller than the rod lengths in order to provide a clearer view of the atoms and bonds throughout the chemical structure model of cefteram pivoxil. Download structure data file (SDF/MOL) file of this compound.
Interactive 3D Visualization
For a better understanding of the chemical structure, an interactive 3D visualization of cefteram pivoxil is provided here.
The cefteram pivoxil molecule shown in the visualization screen can be rotated interactively by keep clicking and moving the mouse button. Mouse wheel zoom is available as well – the size of the cefteram pivoxil molecule can be increased or decreased by scrolling the mouse wheel.
The information of the atoms, bonds, connectivity and coordinates included in the chemical structure of cefteram pivoxil can easily be identified by this visualization. By right-clicking the visualization screen, various other options are available including the visualization of van der Waals surface and exporting to an image file.
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Additional Information for Identifying Cefteram pivoxil Molecule
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SMILES (Simplified Molecular-Input Line-Entry System) string of cefteram pivoxil
The SMILES string of cefteram pivoxil is CON=C(C(=O)NC2C1SCC(=C(N1C2=O)C(=O)OCOC(=O)C(C)(C)C)Cn3nnc(C)n3)c4csc(N)n4, which can be can be imported by most molecule editors for conversion back into two-dimensional drawings or three-dimensional models of the cefteram pivoxil.
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Structure Data File (SDF/MOL File) of cefteram pivoxil
The structure data file (SDF/MOL File) of cefteram pivoxil is available for download in the SDF page of cefteram pivoxil, which provides the information about the atoms, bonds, connectivity and coordinates of cefteram pivoxil. The cefteram pivoxil structure data file can be imported to most of the cheminformatics software systems and applications.
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Chemical formula of cefteram pivoxil
The molecular formula of cefteram pivoxil is available in chemical formula page of cefteram pivoxil, which identifies each constituent element by its chemical symbol and indicates the proportionate number of atoms of each element.
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Molecular weight of cefteram pivoxil
The molecular weight of cefteram pivoxil is available in molecular weight page of cefteram pivoxil, which is calculated as the sum of the atomic weights of each constituent element multiplied by the number of atoms of that element in the molecular formula.
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Other names (synonyms) or registry numbers of cefteram pivoxil
The cefteram pivoxil compound may be called differently depending on the various different situations of industrial applications. Below are the list of the other names (synonyms) of cefteram pivoxil including the various registry numbers, if available:
- 2,2-dimethylpropanoyloxymethyl (6R,7R)-7-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-3-[(5-methyltetrazol-2-yl)methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
- [(6R,7R)-7-[(2E)-2-(2-AMINO-1,3-THIAZOL-4-YL)-2-(METHOXYIMINO)ACETAMIDO]-3-[(5-METHYL-1,2,3,4-TETRAZOL-2-YL)METHYL]-8-OXO-5-THIA-1-AZABICYCLO[4.2.0]OCT-2-ENE-2-CARBONYLOXY]METHYL 2,2-DIMETHYLPROPANOATE
- (7R)-7beta-[(2-Aminothiazol-4-yl)(methoxyimino)acetylamino]-3-(5-methyl-2H-tetrazol-2-yl)methylcepham-3-ene-4-carboxylic acid pivaloyloxymethyl ester
- (6R,7R)-7-[[(2Z)-2-(2-Amino-4-thiazolyl)-2-(methoxyimino)acetyl]amino]-3-[(5-methyl-2H-tetrazol-2-yl)methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic Acid (2,2-Dimethyl-1-oxopropoxy)methyl Ester
- D01686
- O443
- 5-Thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid, 7-(((2-amino-4-thiazolyl)(methoxyimino)acetyl)amino)-3-((5-methyl-2H-tetrazol-2-yl)methyl)-8-oxo-, (2,2-dimethyl-1-oxopropoxy)methyl ester, (6R-(6-alpha,7-beta(Z)))-
- Cefteram pivoxil (JP17)
- CFTM-PI
- Antibiotic T 2588
- Tomiron 100
- Cefteram pivoxil [JAN]
- T 2588
- 0OD86RT58C
- 82547-81-7
- Tomiron
- cefteram pivoxil
- T-2588
- Cefteram pivaloyloxymethyl ester
- C22H27N9O7S2
- Tomiron (TN)
Cefteram pivoxil Identification Summary Frequently Asked Questions (FAQs)
What’s the chemical formula of cefteram pivoxil? |
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C22H27N9O7S2 |
How many atoms and what are the elements included the cefteram pivoxil molecule? |
67 atom(s) - 27 Hydrogen atom(s), 22 Carbon atom(s), 9 Nitrogen atom(s), 7 Oxygen atom(s), and 2 Sulfur atom(s) |
How many chemical bonds and what kind of bonds are included the cefteram pivoxil structure? |
70 bond(s) - 43 non-H bond(s), 16 multiple bond(s), 12 rotatable bond(s), 6 double bond(s), 10 aromatic bond(s), 1 four-membered ring(s), 2 five-membered ring(s), 1 six-membered ring(s), 1 eight-membered ring(s), 2 ester(s) (aliphatic), 1 secondary amide(s) (aliphatic), 1 tertiary amide(s) (aliphatic), 1 oxime(s) (aromatic), 1 primary amine(s) (aromatic), 1 sulfide(s), 1 Beta-Lactam(s), and 1 Thiazole(s) |
What’s the cefteram pivoxil’s molecular weight? |
593.63588 g/mol |
What’s the SMILES code of cefteram pivoxil? |
CON=C(C(=O)NC2C1SCC(=C(N1C2=O)C(=O)OCOC(=O)C(C)(C)C)Cn3nnc(C)n3)c4csc(N)n4 |
What’s the InChI string of cefteram pivoxil? |
InChI=1S/C22H27N9O7S2/c1-10-26-29-30(27-10)6-11-7-39-18-14(25-16(32)13(28-36-5)12-8-40-21(23)24-12)17(33)31(18)15(11)19(34)37-9-38-20(35)22(2,3)4/h8,14,18H,6-7,9H2,1-5H3,(H2,23,24)(H,25,32)/b28-13-/t14-,18-/m1/s1 |
What’s the InChIKey code of cefteram pivoxil? |
UIYAXIPXULMHAI-JLGRZTKVSA-N |
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Source: Chemical Compounds Deep Data Source (CCDDS; https://www.molinstincts.com) based on 41 patented QSQN and QN
technology
commercialized into Mol-Instincts database and ChemRTP, ChemEssen, Inc (2024).