Structure & Deep Data of Penicillin g (C16H18N2O4S)
Identification of Penicillin g Chemical Compound
| Chemical Formula | C16H18N2O4S |
|---|---|
| Molecular Weight | 334.39012 g/mol |
| IUPAC Name | (2S,5R,6R)-3,3-dimethyl-7-oxo-6-(2-phenylacetamido)-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid |
| SMILES String | CC3(C)SC2C(NC(=O)Cc1ccccc1)C(=O)N2C3C(O)=O |
| InChI | InChI=1S/C16H18N2O4S/c1-16(2)12(15(21)22)18-13(20)11(14(18)23-16)17-10(19)8-9-6-4-3-5-7-9/h3-7,11-12,14H,8H2,1-2H3,(H,17,19)(H,21,22)/t11-,12+,14-/m1/s1 |
| InChIKey | JGSARLDLIJGVTE-MBNYWOFBSA-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 penicillin g molecule contains a total of 43 bond(s). There are 25 non-H bond(s), 9 multiple bond(s), 4 rotatable bond(s), 3 double bond(s), 6 aromatic bond(s), 1 four-membered ring(s), 1 five-membered ring(s), 1 six-membered ring(s), 1 seven-membered ring(s), 1 carboxylic acid(s) (aliphatic), 1 secondary amide(s) (aliphatic), 1 tertiary amide(s) (aliphatic), 1 hydroxyl group(s), 1 sulfide(s), and 1 Beta-Lactam(s). Images of the chemical structure of penicillin g are given below:
The 2D chemical structure image of penicillin g is also called skeletal formula, which is the standard notation for organic molecules. The carbon atoms in the chemical structure of penicillin g 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 penicillin g 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 penicillin g. Download structure data file (SDF/MOL) file of this compound.
chemical table area
Interactive 3D Visualization
For a better understanding of the chemical structure, an interactive 3D visualization of penicillin g is provided here.
The penicillin g 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 penicillin g 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 penicillin g 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 Penicillin g Molecule
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SMILES (Simplified Molecular-Input Line-Entry System) string of penicillin g
The SMILES string of penicillin g is CC3(C)SC2C(NC(=O)Cc1ccccc1)C(=O)N2C3C(O)=O, which can be can be imported by most molecule editors for conversion back into two-dimensional drawings or three-dimensional models of the penicillin g.
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Structure Data File (SDF/MOL File) of penicillin g
The structure data file (SDF/MOL File) of penicillin g is available for download in the SDF page of penicillin g, which provides the information about the atoms, bonds, connectivity and coordinates of penicillin g. The penicillin g structure data file can be imported to most of the cheminformatics software systems and applications.
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Chemical formula of penicillin g
The molecular formula of penicillin g is available in chemical formula page of penicillin g, 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 penicillin g
The molecular weight of penicillin g is available in molecular weight page of penicillin g, 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 penicillin g
The penicillin g compound may be called differently depending on the various different situations of industrial applications. Below are the list of the other names (synonyms) of penicillin g including the various registry numbers, if available:
- 4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 3,3-dimethyl-7-oxo-6-[(phenylacetyl)amino]-, (2S,5R,6R)-
- 4-Thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid, 3,3-dimethyl-7-oxo-6-(2-phenylacetamido)- (8CI)
- 3,3-Dimethyl-7-oxo-6-phenylacetylamino-4-thia-1-aza-bicyclo[3.2.0]heptane-2-carboxylic acid(penicillin G)
- 3,3-Dimethyl-7-oxo-6-phenylacetylamino-4-thia-1-aza-bicyclo[3.2.0]heptane-2-carboxylic acid anion (Penicillin G)
- 3,3-Dimethyl-7-oxo-6-phenylacetylamino-4-thia-1-aza-bicyclo[3.2.0]heptane-2-carboxylic acid
- (2S,5R,6R)-3,3-Dimethyl-7-oxo-6-phenylacetylamino-4-thia-1-aza-bicyclo[3.2.0]heptane-2-carboxylic acid
- (2S,5R,6R)-3,3-dimethyl-7-oxo-6-(2-phenylacetamido)-4-thia-1-aza-bicyclo[3.2.0]heptane-2-carboxylic acid
- (+)-3,3-Dimethyl-7-oxo-6-phenylacetylamino-4-thia-1-aza-bicyclo[3.2.0]heptane-2-carboxylic acid(penicillin G)
- Benzylpenicillin, Antibiotic for Culture Media Use Only
- W-109262
- C-20153
- Penicillin G Sod. for Inj. (10millioniu) USP
- Penicillin G Potassium Inj 10000000unit/vial
- Penicillin G Pot. for Inj. (10millioniu) USP
- Penicillin G Na for Inj USP 10000000u/vial
- Penicillin G Sod. for Inj. (1millioniu) USP
- Penicillin G Potassium Inj 5000000unit/vial
- Penicillin G Potassium Inj 1000000unit/vial
- Penicillin G Na for Inj USP 5000000u/vial
- Penicillin G Na for Inj USP 1000000u/vial
- Penicillin G K for Inj,usp 10000000u/vial
- Penicillin G K for Inj,usp 5000000u/vial
- Penicillin G K for Inj USP 1000000u/vial
- SBI-0051476.P003
- Penicillin G Potassium for Injection, USP
- Penicillin G Potassium Inj 10000000iu
- 4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 3,3-dimethyl-7-oxo-6-[(phenylacetyl)amino]- (2S,5R,6R)-
- Penicillin G Potassium Inj 5000000iu
- Penicillin G Potassium Inj 1000000iu
- Penicillin G Sodium Inj 10000000iu
- Penicillin G Sodium for Injection, USP
- Penicillin G Sodium Inj 5000000iu
- Penicillin G Sodium Inj 1000000iu
- BDBM50022787
- Benzylpenicillin potassium (JP15)
- HMS2875L09
- Crystapen 1 000 000 Iu Pws
- Penicillin G Sodium for Injection
- Crystapen 10000000 Iu Pws
- Q42T66VG0C
- GTPL4796
- NChemBio.2007.21-comp4
- Penicillin-G Amidase Enzyme
- Epitope ID:114070
- Megacillin 500 Tablets
- Crystapen 10m I.U.
- Novo-pen G 500
- potassium 2,2-dimethyl-6beta-(phenylacetamido)penam-3alpha-carboxylate
- PENICILLIN-G
- nchembio.252-comp1
- nchembio.177-comp1
- Crystapen 5m I.U.
- Crystapen 1m I.U.
- AR-1K9813
- 2,2-dimethyl-6beta-(phenylacetamido)penam-3alpha-carboxylate
- 4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 3,3-dimethyl-7-oxo-6-(2-phenylacetamido)-
- I06-1083
- benzyl benicillin
- PenicillinG
- bensylpenicillin
- D01053
- P1772
- HMS2091N12
- HMS1920F12
- 4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylicacid, 3,3-dimethyl-7-oxo-6-[(2-phenylacetyl)amino]- (2S,5R,6R)-
- 4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 3,3-dimethyl-7-oxo-6-[(phenylacetyl)amino]- [2S-(2alpha,5alpha,6beta)]-
- 4-Thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid, 3,3-dimethyl-7-oxo-6- (2-phenylacetamido)-
- (2S,5R,6R)-3,3-dimethyl-7-oxo-6-(phenylacetamido)-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
- (2S,5R,6R)-3,3-Dimethyl-7-oxo-6-(2-phenylacetamido)-4-thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid
- HMS500P18
- SPECTRUM1500465
- 2,2-dimethyl-6beta-(phenylacetamido)penam-3alpha-carboxylic acid
- Penicillin G Potassium in Plastic Container
- BRD-K55191674-237-02-7
- BRD-K55191674-236-03-7
- PNN
- 4-Thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid, 3,3-dimethyl-7-oxo-6-(2-phenylacetamido)-
- 4-Thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid, 3,3-dimethyl-7-oxo-6-((phenylacetyl)amino)-, (2S-(2alpha,5alpha,6beta))-
- (2S,5R,6R)-3,3-dimethyl-7-oxo-6-[(2-phenylacetyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
- D02336
- Bicillin (*Benzathine Salt, Tetrahydrate*)
- Penicillin potassium G, crystalline
- Pfizerpen (TN)
- 4-Thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid, 3,3-dimethyl-7-oxo-6-((phenylacetyl)amino)- (2S-(2alpha,5alpha,6beta))-
- 69-57-8 (mono-hydrochloride salt)
- Phenylacetyl-6-aminopenicillanic acid
- 113-98-4 (mono-potassium salt)
- Potassium benzylpenicillin
- Pentids '200'
- Bio-0602
- Crysticillin 300 A.S.
- Benzylpenicillin (INN)
- Penicillin G potassium salt
- C16H18N2O4S
- Pfizerpen G
- PENICILLIN-2
- Sodium benzylpenicillin
- Megacillin
- Ayercillin
- (Phenylmethyl)penicillinic acid
- Sodium penicillin
- Benzylpenicillin [INN:BAN]
- Penicillinic acid, (phenylmethyl)-
- Benzylpenicillinum [Latin]
- Benzylpenicilline [French]
- Bencilpenicilina [Spanish]
- Benzylpenicillin potassium
- (Phenylmethyl)penicillin
- Penicillin, (phenylmethyl)-
- Penicillin-G potassium
- (5R,6R)-Benzylpenicillin
- Permapen
- Penicillinic acid, benzyl-
- Cillora
- Benzyl-6-aminopenicillinic acid
- Penicillin G sodium
- 6-(2-Phenylacetamido)penicillanic acid
- Phenylacetamidopenicillanic acid
- Bicillin
- Free benzylpenicillin
- Compocillin G
- Benzylpenicilline
- Ursopen
- Galofak
- Cosmopen
- Cilloral
- 61-33-6
- Benzylpenicillinum
- Specilline G
- Bencilpenicilina
- Cilopen
- Gelacillin
- Free penicillin G
- Dropcillin
- Abbocillin
- Benzopenicillin
- Benzyl penicillin
- Free penicillin II
- Benzylpenicillin G
- Pencillin G
- Pfizerpen
- Benzylpenicillinic acid
- Benzylpenicillin
- penicillin g
- Pradupen
- Pharmacillin
- Penicillin
- Liquacillin
Penicillin g Identification Summary Frequently Asked Questions (FAQs)
| What’s the chemical formula of penicillin g? |
|---|
| C16H18N2O4S |
| How many atoms and what are the elements included the penicillin g molecule? |
| 41 atom(s) - 18 Hydrogen atom(s), 16 Carbon atom(s), 2 Nitrogen atom(s), 4 Oxygen atom(s), and 1 Sulfur atom(s) |
| How many chemical bonds and what kind of bonds are included the penicillin g structure? |
| 43 bond(s) - 25 non-H bond(s), 9 multiple bond(s), 4 rotatable bond(s), 3 double bond(s), 6 aromatic bond(s), 1 four-membered ring(s), 1 five-membered ring(s), 1 six-membered ring(s), 1 seven-membered ring(s), 1 carboxylic acid(s) (aliphatic), 1 secondary amide(s) (aliphatic), 1 tertiary amide(s) (aliphatic), 1 hydroxyl group(s), 1 sulfide(s), and 1 Beta-Lactam(s) |
| What’s the penicillin g’s molecular weight? |
| 334.39012 g/mol |
| What’s the SMILES code of penicillin g? |
| CC3(C)SC2C(NC(=O)Cc1ccccc1)C(=O)N2C3C(O)=O |
| What’s the InChI string of penicillin g? |
| InChI=1S/C16H18N2O4S/c1-16(2)12(15(21)22)18-13(20)11(14(18)23-16)17-10(19)8-9-6-4-3-5-7-9/h3-7,11-12,14H,8H2,1-2H3,(H,17,19)(H,21,22)/t11-,12+,14-/m1/s1 |
| What’s the InChIKey code of penicillin g? |
| JGSARLDLIJGVTE-MBNYWOFBSA-N |
6263
The contents of this page can freely be shared if cited as follows:
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).