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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 Weight:
365.4110000000001 g/mol
Names and Synonyms:
Amoxicillin
Anemol
Apitart
Samthongcillin
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)-
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*)]]-
4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 6-[2-amino-2-(p-hydroxyphenyl)acetamido]-3,3-dimethyl-7-oxo-, D-
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)-
(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
6-[D(-)-α-Amino-p-hydroxyphenylacetamido]penicillanic acid
Amoxicillin
Amoxycillin
BRL 2333
6-[D-(-)-2-Amino-2-(p-hydroxyphenyl)acetamido]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
D-(-)-α-Amino-p-hydroxybenzyl penicillin
D-(α-Amino-p-hydroxybenzyl)penicillin
p-Hydroxyampicillin
Histocillin
Amoxil
6-[D-(-)-p-Hydroxy-α-aminobenzyl]penicillin
D-2-Amino-2-(4-hydroxyphenyl)acetamidopenicillanic acid
Clamoxyl
BLP 1410
6-[D-α-Amino-α-(4-hydroxyphenyl)acetamido]penicillanic acid
Imacillin
D-Amoxicillin
Amopen
Sawacillin
Amoclen
Cemoxin
Amoxipen
Anemolin
Bristamox
Delacillin
Aspenil
Ibiamox
Piramox
Sumox
Amopenixin
Ampy-Penyl
Amoxi
Efpenix
Amolin
Amoxi-Mast
Metifarma capsules
Metafarma capsules
Hiconcil
Amoxivet
Vetramox
Suramox PM
Flemoxin
Acimox
Abdimox
Agerpen
Actimoxi
Adbiotin
Almodan
Alphamox
AM 73
Amagesen Solutab
Amcill
A-Gram
Alfamox
Amoflux
Amosine
Amox
Amoxa
Amoxal
Amoxapen
Amoxaren
Amoxcillin
Amoxi-basan
Amoxibiotic
Amoxicilina
Amoxidal
Amoxiden
Amodex
Amo-flamsian
Amoxillin
Amoxin
Amoxipenil
Amoxisol
Amoxivan
Amoxtrex
Amoxy
Amoxy-diolan
Amoxypen
Ampidroxyl
Apo-Amoxi
Audumic
Azillin
Bactamox
Bimox
Bintamox
Biomox
Bioxidona
Bioxyllin
Bridopen
Cabermox
Cilamox
Clamox
Coamoxin
Comoxyl
Damoxicil
Amoxidin
Amoxihexal
Eupen
Excillin
Efpinex
Fisamox
Foxolin
Farconcil
Gemox
Gimalxina
Gomcillin
Grinsul
Grunamox
Hidramox
Fullcilina
Draximox
Ikamoxil
Imaxilin
Imox
Imoxil
Intermox
Isimoxin
Izoltil
Jerramcil
Kamoxin
Lamoxy
Larocilin
Larotid
Limox
Hipen
Hosboral
Maxcil
Medimox
Meixil
Mopen
Morgenxil
Mox
Moxacin
Moxaline
Moxarin
Moxcil
Moxilen
Moxlin
Moxylin
Moxypen
Moxyvit
Novabritine
Novamoxin
Novenzymin
Optium
Ospamox
Pamocil
Pamoxicillin
Pasetocin
Penamox
Penbiosyn
Pensyn
Polymox
Posmox
Protexillin
Majorpen
Matasedrin
Ranmoxy
Rancil
Rhamoxilina
Robamox
Ronemox
Saltermox
Ranoxyl
Reloxyl
Sawamezin
Senox
Sia-mox
Sigmopen
Sil-A-mox
Simoxil
Simplamox
Specillin
Superpeni
Suprapen
Teramoxyl
Tolodina
Triafamox
Triamoxil
Trilaxin
Trimox
Twicyl
Unicillin
Velamox
Virgoxillin
Widecillin
Winmox
Wymox
Yisulon
Zamocillin
Zamox
Zamoxil
Zerrsox
Zimox
Samosillin
Rocillin
Ardine
Ardine (pharmaceutical)
Penimox
Amoxicillin Chewable Tablets
Helvamox
Betamox
Grinsil
Utimox
Amocilline
Amoram
NSC 277174
Eupensol
Gramidil
Suramox 50
Vetomoxin
Bactox
Novamox
Suramox
Blumox
Moxatag
DisperMox
Identifiers:
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:
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
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
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.
All Properties
Comprehensive physical and chemical properties
Physical Properties
| Property | Value | Source |
|---|---|---|
| molecular_mass | 365.41 g/mol | Legacy Database |
| cas-canonical-smile | O=C(O)C1N2C(=O)C(NC(=O)C(N)C3=CC=C(O)C=C3)C2SC1(C)C None | Legacy Database |
| cas-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 None | Legacy Database |
| cas-inchi-key | InChIKey=LSQZJLSUYDQPKJ-NJBDSQKTSA-N None | Legacy Database |
| cas-melting-point | 140 °C None | Legacy Database |
| cas-name | Amoxicillin None | Legacy Database |
| LogP | 0.8639999999999999 | RDKit |
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 365.4110000000001 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 365.104541708 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 25 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 6 count | RDKit |
| Hydrogen Bond Donors | 4 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 4 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 1 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 136.45 Ų | RDKit |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 92.61480000000005 | RDKit |
