SDF/Mol File 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 |
Structure Data File (SDF/MOL File) Description
The structure data file (SDF/MOL File) of cefteram pivoxil is available for download. Click the link below to start downloading.
Download structure data file (SDF/MOL File)
The structure data file (SDF/MOL File) contains the information about the atoms, bonds, connectivity and coordinates of cefteram pivoxil molecule. It starts with a header block, followed by "connection table’, which describes the structural relationships and properties of the atoms.
The structure data file (SDF/MOL File) available above can be imported to most of the chemistry-related software packages, performing further scientific analysis. Most of the computational software and visualization program require the structural information of the target molecule, and the above structure data file (SDF/MOL File) can be a good option.
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- InChIKey: LFQSCWFLJHTTHZ-UHFFFAOYSA-N
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Additional Information for Identifying Cefteram pivoxil Molecule
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Chemical structure of cefteram pivoxil
By visualizing the structure data file (SDF/MOL File) above, the chemical structure image of cefteram pivoxil is available in chemical structure page of cefteram pivoxil, which specifies the molecular geometry, i.e., the spatial arrangement of atoms and the chemical bonds that hold the atoms together.
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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 masses of each constituent element multiplied by the number of atoms of that element.
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Chemical formula of cefteram pivoxil
The chemical formula of cefteram pivoxil is given 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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InChI (IUPAC International Chemical Identifier) information of cefteram pivoxil
An alternative way of expressing structural information in text format is InChI. The full standard InChI of cefteram pivoxil is:
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
It can provide a standard way to encode the molecular information of cefteram pivoxil to facilitate the search for the compound information in databases and on the web.
The condensed, 27 character standard InChIKey (hashed version of the full standard InChI) of cefteram pivoxil is:
InChIKey=UIYAXIPXULMHAI-JLGRZTKVSA-N
The InChIKey may allow easier web searches for cefteram pivoxil, but it needs to be linked to the full InChI to get back to the original structure of the cefteram pivoxil since the full standard InChI cannot be reconstructed from the InChIKey.
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Other names (synonyms) or registry numbers of cefteram pivoxil
The cefteram pivoxil compound may be named differently depending on the various situations of industrial applications. Other names (synonyms) of cefteram pivoxil including the registry numbers are listed below, 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 cefteram pivoxil formula? |
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C22H27N9O7S2 |
How many atoms and what elements are included in 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 in 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 molar mass? |
593.63588 g/mol |
What’s the SMILES structure 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 code 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 format 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
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commercialized into Mol-Instincts database and ChemRTP, ChemEssen, Inc (2024).