Procaine penicillin G
2-(diethylamino)ethyl 4-aminobenzoate;(2S,5R,6R)-3,3-dimethyl-7-oxo-6-[(2-phenylacetyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
| Molecular Formula | C29H38N4O6S |
|---|---|
| Molecular Weight | 570.7 g/mol |
| Topological Polar Surface Area | 168.0 A2 |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 11 |
| Exact Mass | 570.2512 |
| Heavy Atoms | 40 |
| Complexity | 752.0 |
Chemical Identifiers
| CAS Number | 54-35-3 |
|---|---|
| SMILES | CCN(CC)CCOC(=O)C1=CC=C(C=C1)N.CC1(C(N2C(S1)C(C2=O)NC(=O)CC3=CC=CC=C3)C(=O)O)C |
| InChIKey | WHRVRSCEWKLAHX-LQDWTQKMSA-N |
📖 Product Overview
Procaine penicillin G (CAS: 54-35-3) is a chemical compound with molecular formula C29H38N4O6S and molecular weight 570.7 g/mol. Its IUPAC systematic name is 2-(diethylamino)ethyl 4-aminobenzoate;(2S,5R,6R)-3,3-dimethyl-7-oxo-6-[(2-phenylacetyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid.
WHRVRSCEWKLAHX-LQDWTQKMSA-N.
SMILES: CCN(CC)CCOC(=O)C1=CC=C(C=C1)N.CC1(C(N2C(S1)C(C2=O)NC(=O)CC3=CC=CC=C3)C(=O)O)C.
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