2D structurePubChem CID 5904
Tapatybė
Penicillin G
Nenurodyta · C16H18N2O4S
01Tapatybė
| Lazychem ID | LC-54462 |
|---|---|
| CAS RN | Nenurodyta |
| PubChem CID | 5904 |
| Molecular formula | C16H18N2O4S |
| Molecular weight | 334.4 g/mol |
| IUPAC name | (2S,5R,6R)-3,3-dimethyl-7-oxo-6-[(2-phenylacetyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid |
| InChIKey | JGSARLDLIJGVTE-MBNYWOFBSA-N |
02Struktūra ir stereochemija
2D structurePubChem CID 5904
The parsed structure contains 3 rings, includes aromatic atoms, includes aliphatic carbon, has 3 defined stereocentres. These statements are calculated from the published structure string.
| Defined stereocentres | 3 |
|---|---|
| Ring count | 3 |
| Secondary amines | 0 |
| Tertiary amines | 0 |
| SMILES | CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)CC3=CC=CC=C3)C(=O)O)C |
|---|---|
| InChI | Nenurodyta |
03Stereochemistry
The published structure contains 3 defined and 0 unassigned tetrahedral stereocentres. The exact wedge and dash depiction is shown above.
Defined centres3Structure assigned
Unassigned centres0Structure unspecified
Assignment statusFully assignedExact published identity
Tetrahedral upper bound≤ 8Before symmetry reduction
Published same-connectivity configurations
2 recordsThese records have the same connectivity, molecular formula and protonation layer, but a different complete InChIKey stereochemical layer. Only separately structure-linked records are shown.
2D structurePubChem CID 101718
Phenoxymethylpenicillin Potassium EP Impurity A/ Benzylpenicillin (Free Base)
CAS 61-33-6
JGSARLDLIJGVTE-YXHCSQSYSA-N
2 defined, 1 unassigned centres
Scope: The mathematical 2^n value is only an upper bound. Symmetry and other stereogenic elements can change the number of distinct stereoisomers. A hypothetical configuration is not published as a compound record without a verified structure identity.
04Statusas Indijoje
Exact-compound status is evaluated only against the published name and CAS number. Confirm the current official instrument before a regulatory decision.
05Pavadinimai ir ryšiai
API ir pirminis vaistas
Nenurodyta
Pavadinimai ir ryšiai
06Šaltiniai
- S01PubChem CID 5904
Structure and machine-readable chemical identifiers.