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Amoxicillin
CAS: 26787-78-0 | C16H19N3O5S
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 26787-78-0
- Molecular Formula
- C16H19N3O5S
- Molecular Mass
- 365.41 g/mol
Identifiers
CAS Registry Number
26787-78-0
SMILES
CC1(C)S[C@@H]2[C@H](N=C(O)[C@H](N)c3ccc(O)cc3)C(=O)N2[C@H]1C(=O)O
InChI Key
LSQZJLSUYDQPKJ-NJBDSQKTSA-N
InChI
InChI=1S/C16H19N3O5S/c1-16(2)11(15(23)24)19-13(22)10(14(19)25-16)18-12(21)9(17)7-3-5-8(20)6-4-7/h3-6,9-11,14,20H,17H2,1-2H3,(H,18,21)(H,23,24)/t9-,10-,11+,14-/m1/s1
Names and Synonyms
- Amoxicillin Synonym
- Anemol Synonym
- Apitart Synonym
- Samthongcillin Synonym
- 4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 6-[[(2R)-2-amino-2-(4-hydroxyphenyl)acetyl]amino]-3,3-dimethyl-7-oxo-, (2S,5R,6R)- Synonym
- 4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 6-[[amino(4-hydroxyphenyl)acetyl]amino]-3,3-dimethyl-7-oxo-, [2S-[2α,5α,6β(S*)]]- Synonym
- 4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 6-[2-amino-2-(p-hydroxyphenyl)acetamido]-3,3-dimethyl-7-oxo-, D- Synonym
- 4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 6-[[(2R)-amino(4-hydroxyphenyl)acetyl]amino]-3,3-dimethyl-7-oxo-, (2S,5R,6R)- Synonym
- (2S,5R,6R)-6-[[(2R)-2-Amino-2-(4-hydroxyphenyl)acetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid Synonym
- 6-[D(-)-α-Amino-p-hydroxyphenylacetamido]penicillanic acid Synonym
- Amoxicillin Synonym
- Amoxycillin Synonym
- BRL 2333 Synonym
- 6-[D-(-)-2-Amino-2-(p-hydroxyphenyl)acetamido]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid Synonym
- D-(-)-α-Amino-p-hydroxybenzyl penicillin Synonym
- D-(α-Amino-p-hydroxybenzyl)penicillin Synonym
- p-Hydroxyampicillin Synonym
- Histocillin Synonym
- Amoxil Synonym
- 6-[D-(-)-p-Hydroxy-α-aminobenzyl]penicillin Synonym
- D-2-Amino-2-(4-hydroxyphenyl)acetamidopenicillanic acid Synonym
- Clamoxyl Synonym
- BLP 1410 Synonym
- 6-[D-α-Amino-α-(4-hydroxyphenyl)acetamido]penicillanic acid Synonym
- Imacillin Synonym
- D-Amoxicillin Synonym
- Amopen Synonym
- Sawacillin Synonym
- Amoclen Synonym
- Cemoxin Synonym
- Amoxipen Synonym
- Anemolin Synonym
- Bristamox Synonym
- Delacillin Synonym
- Aspenil Synonym
- Ibiamox Synonym
- Piramox Synonym
- Sumox Synonym
- Amopenixin Synonym
- Ampy-Penyl Synonym
- Amoxi Synonym
- Efpenix Synonym
- Amolin Synonym
- Amoxi-Mast Synonym
- Metifarma capsules Synonym
- Metafarma capsules Synonym
- Hiconcil Synonym
- Amoxivet Synonym
- Vetramox Synonym
- Suramox PM Synonym
- Flemoxin Synonym
- Acimox Synonym
- Abdimox Synonym
- Agerpen Synonym
- Actimoxi Synonym
- Adbiotin Synonym
- Almodan Synonym
- Alphamox Synonym
- AM 73 Synonym
- Amagesen Solutab Synonym
- Amcill Synonym
- A-Gram Synonym
- Alfamox Synonym
- Amoflux Synonym
- Amosine Synonym
- Amox Synonym
- Amoxa Synonym
- Amoxal Synonym
- Amoxapen Synonym
- Amoxaren Synonym
- Amoxcillin Synonym
- Amoxi-basan Synonym
- Amoxibiotic Synonym
- Amoxicilina Synonym
- Amoxidal Synonym
- Amoxiden Synonym
- Amodex Synonym
- Amo-flamsian Synonym
- Amoxillin Synonym
- Amoxin Synonym
- Amoxipenil Synonym
- Amoxisol Synonym
- Amoxivan Synonym
- Amoxtrex Synonym
- Amoxy Synonym
- Amoxy-diolan Synonym
- Amoxypen Synonym
- Ampidroxyl Synonym
- Apo-Amoxi Synonym
- Audumic Synonym
- Azillin Synonym
- Bactamox Synonym
- Bimox Synonym
- Bintamox Synonym
- Biomox Synonym
- Bioxidona Synonym
- Bioxyllin Synonym
- Bridopen Synonym
- Cabermox Synonym
- Cilamox Synonym
- Clamox Synonym
- Coamoxin Synonym
- Comoxyl Synonym
- Damoxicil Synonym
- Amoxidin Synonym
- Amoxihexal Synonym
- Eupen Synonym
- Excillin Synonym
- Efpinex Synonym
- Fisamox Synonym
- Foxolin Synonym
- Farconcil Synonym
- Gemox Synonym
- Gimalxina Synonym
- Gomcillin Synonym
- Grinsul Synonym
- Grunamox Synonym
- Hidramox Synonym
- Fullcilina Synonym
- Draximox Synonym
- Ikamoxil Synonym
- Imaxilin Synonym
- Imox Synonym
- Imoxil Synonym
- Intermox Synonym
- Isimoxin Synonym
- Izoltil Synonym
- Jerramcil Synonym
- Kamoxin Synonym
- Lamoxy Synonym
- Larocilin Synonym
- Larotid Synonym
- Limox Synonym
- Hipen Synonym
- Hosboral Synonym
- Maxcil Synonym
- Medimox Synonym
- Meixil Synonym
- Mopen Synonym
- Morgenxil Synonym
- Mox Synonym
- Moxacin Synonym
- Moxaline Synonym
- Moxarin Synonym
- Moxcil Synonym
- Moxilen Synonym
- Moxlin Synonym
- Moxylin Synonym
- Moxypen Synonym
- Moxyvit Synonym
- Novabritine Synonym
- Novamoxin Synonym
- Novenzymin Synonym
- Optium Synonym
- Ospamox Synonym
- Pamocil Synonym
- Pamoxicillin Synonym
- Pasetocin Synonym
- Penamox Synonym
- Penbiosyn Synonym
- Pensyn Synonym
- Polymox Synonym
- Posmox Synonym
- Protexillin Synonym
- Majorpen Synonym
- Matasedrin Synonym
- Ranmoxy Synonym
- Rancil Synonym
- Rhamoxilina Synonym
- Robamox Synonym
- Ronemox Synonym
- Saltermox Synonym
- Ranoxyl Synonym
- Reloxyl Synonym
- Sawamezin Synonym
- Senox Synonym
- Sia-mox Synonym
- Sigmopen Synonym
- Sil-A-mox Synonym
- Simoxil Synonym
- Simplamox Synonym
- Specillin Synonym
- Superpeni Synonym
- Suprapen Synonym
- Teramoxyl Synonym
- Tolodina Synonym
- Triafamox Synonym
- Triamoxil Synonym
- Trilaxin Synonym
- Trimox Synonym
- Twicyl Synonym
- Unicillin Synonym
- Velamox Synonym
- Virgoxillin Synonym
- Widecillin Synonym
- Winmox Synonym
- Wymox Synonym
- Yisulon Synonym
- Zamocillin Synonym
- Zamox Synonym
- Zamoxil Synonym
- Zerrsox Synonym
- Zimox Synonym
- Samosillin Synonym
- Rocillin Synonym
- Ardine Synonym
- Ardine (pharmaceutical) Synonym
- Penimox Synonym
- Amoxicillin Chewable Tablets Synonym
- Helvamox Synonym
- Betamox Synonym
- Grinsil Synonym
- Utimox Synonym
- Amocilline Synonym
- Amoram Synonym
- NSC 277174 Synonym
- Eupensol Synonym
- Gramidil Synonym
- Suramox 50 Synonym
- Vetomoxin Synonym
- Bactox Synonym
- Novamox Synonym
- Suramox Synonym
- Blumox Synonym
- Moxatag Synonym
- DisperMox Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 365.41 g/mol | CAS Common Chemistry |
| 365.4110000000001 g/mol | RDKit | |
| 365.411 g/mol | RDKit | |
| 365.404 g/mol | chempirical lib | |
| Canonical SMILES | O=C(O)C1N2C(=O)C(NC(=O)C(N)C3=CC=C(O)C=C3)C2SC1(C)C | CAS Common Chemistry |
| InChI | InChI=1S/C16H19N3O5S/c1-16(2)11(15(23)24)19-13(22)10(14(19)25-16)18-12(21)9(17)7-3-5-8(20)6-4-7/h3-6,9-11,14,20H,17H2,1-2H3,(H,18,21)(H,23,24)/t9-,10-,11+,14-/m1/s1 | CAS Common Chemistry |
| InChI Key | InChIKey=LSQZJLSUYDQPKJ-NJBDSQKTSA-N | CAS Common Chemistry |
| Melting Point | 140 °C | CAS Common Chemistry |
| Name | Amoxicillin | CAS Common Chemistry |
| Heavy Atom Count | 25 | RDKit |
| Hydrogen Bond Acceptors | 6 | RDKit |
| Hydrogen Bond Donors | 4 | RDKit |
| Rotatable Bonds | 4 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 136.45 Ų | RDKit |
| LogP | 0.8639999999999999 | RDKit |
| 0.864 | RDKit | |
| Molar Refractivity | 92.61480000000005 cm³/mol | RDKit |
| Ring Count | 3 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.4375 | RDKit |
| 0.44 | chempirical lib | |
| Exact Mass | 365.104541708 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
8
7
6
5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
60
40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
|---|
Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
External Resources
Related
Related molecules
Other compounds with formula C16H19N3O5S.
