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Ampicillin
CAS: 69-53-4 | C16H19N3O4S
2D Structure
3D Structure
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Basic Information
CAS Registry Number:
69-53-4
Molecular Formula:
C16H19N3O4S
Molecular Mass:
349.41 g/mol
Names and Synonyms:
Ampicillin
4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 6-[[(2R)-2-amino-2-phenylacetyl]amino]-3,3-dimethyl-7-oxo-, (2S,5R,6R)-
4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 6-(2-amino-2-phenylacetamido)-3,3-dimethyl-7-oxo-, D-(-)-
4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 6-[(aminophenylacetyl)amino]-3,3-dimethyl-7-oxo-, [2S-[2α,5α,6β(S*)]]-
4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 6-(D-2-amino-2-phenylacetamido)-3,3-dimethyl-7-oxo-
4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 6-[[(2R)-aminophenylacetyl]amino]-3,3-dimethyl-7-oxo-, (2S,5R,6R)-
(2S,5R,6R)-6-[[(2R)-2-Amino-2-phenylacetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
(-)-6-(2-Amino-2-phenylacetamido)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
6-[D-(-)-α-Aminophenylacetamido]penicillanic acid
Ampicillin
Binotal
Penbritin
Viccillin
Penicline
Aminobenzylpenicillin
Omnipen
D-(-)-α-Aminobenzylpenicillin
D-(-)-α-Aminopenicillin
Penbritin paediatric
Penbritin syrup
Ampicillin acid
Penicillin, (aminophenylmethyl)-
Ampicillin A
Amblosin
Amplital
Austrapen
Britacil
BRL 1341
Doktacillin
Penbristol
Totapen
Amfipen
Nuvapen
Ultrabron
Amplisom
Ampimed
Guicitrina
D-Ampicillin
D-(-)-Ampicillin
6-[D-(-)-2-Amino-2-phenylacetamido]penicillanic acid
Ampicillin anhydrate
Wy 5103
Penbrock
AY 6108
Semicillin
Viccillin S
Tolomol
D-(-)-6-(α-Aminophenylacetamido)penicillanic acid
Ampivet
Amotital
Roscillin
Synpenin
Olin Kid
Ampisyn
Alpen
P 50
Bonapicillin
Grampenil
Copharcilin
Ultrabion
Ampipenin
Totalciclina
Pentrexyl
Totacillin
Ampi-Bol
QIDamp
Tokiocillin
Marisilan
Amipenix S
Ponecil
Adobacillin
Campicillin
Ficillin
Redicilin
Ampi-kel
Polyflex
Polyflex (antibiotic)
Ampicilina
Bacipen
Amipenix
Dumopen
Albipen
Ampitab
Domicillin
NSC 528986
A-Pen
Omnipe
Amcillin
Reichlin
Cincillin
Gobemicina
Britapen
Hiperbiotico
Unacim
Identifiers:
SMILES:
CC1(C)S[C@@H]2[C@H](N=C(O)[C@H](N)c3ccccc3)C(=O)N2[C@H]1C(=O)O
InChI:
InChI=1S/C16H19N3O4S/c1-16(2)11(15(22)23)19-13(21)10(14(19)24-16)18-12(20)9(17)8-6-4-3-5-7-8/h3-7,9-11,14H,17H2,1-2H3,(H,18,20)(H,22,23)/t9-,10-,11+,14-/m1/s1
Key Properties
Melting Point
202 °C (decomp)
CAS Common Chemistry
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
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 349.41 g/mol | CAS Common Chemistry |
| 349.4120000000001 g/mol | RDKit | |
| 349.10962708799997 g/mol | RDKit | |
| Canonical SMILES | O=C(O)C1N2C(=O)C(NC(=O)C(N)C=3C=CC=CC3)C2SC1(C)C | CAS Common Chemistry |
| InChI | InChI=1S/C16H19N3O4S/c1-16(2)11(15(22)23)19-13(21)10(14(19)24-16)18-12(20)9(17)8-6-4-3-5-7-8/h3-7,9-11,14H,17H2,1-2H3,(H,18,20)(H,22,23)/t9-,10-,11+,14-/m1/s1 | CAS Common Chemistry |
| InChI Key | InChIKey=AVKUERGKIZMTKX-NJBDSQKTSA-N | CAS Common Chemistry |
| Melting Point | 202 °C (decomp) | CAS Common Chemistry |
| Name | Ampicillin | CAS Common Chemistry |
| Heavy Atom Count | 24 | RDKit |
| Hydrogen Bond Acceptors | 5 | RDKit |
| Hydrogen Bond Donors | 3 | RDKit |
| Rotatable Bonds | 4 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 116.22000000000001 Ų | RDKit |
| LogP | 1.1584 | RDKit |
| Molar Refractivity | 90.95000000000006 | RDKit |
