IUPAC name
(5R,6S)-3-({2-[(E)-(aminomethylidene)amino]ethyl}sulfanyl)-6-[(1R)-1-hydroxyethyl]-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid
SMILES
[H][C@]12CC(SCC\N=C\N)=C(N1C(=O)[C@]2([H])[C@@H](C)O)C(O)=O
Compound class
Anti-Bacterial Agents; Antibacterials for Systemic Use; Antiinfectives for Systemic Use; Carbapenems;
Therapeutic area
For the treatment of bacterial infections caused by susceptible bacteria.
Common name
Imipenem
IUPAC name
(5R,6S)-3-({2-[(E)-(aminomethylidene)amino]ethyl}sulfanyl)-6-[(1R)-1-hydroxyethyl]-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid
SMILES
[H][C@]12CC(SCC\N=C\N)=C(N1C(=O)[C@]2([H])[C@@H](C)O)C(O)=O
INCHI
InChI=1S/C12H17N3O4S/c1-6(16)9-7-4-8(20-3-2-14-5-13)10(12(18)19)15(7)11(9)17/h5-7,9,16H,2-4H2,1H3,(H2,13,14)(H,18,19)/t6-,7-,9-/m1/s1
FORMULA
C12H17N3O4S
Common name
Imipenem
IUPAC name
(5R,6S)-3-({2-[(E)-(aminomethylidene)amino]ethyl}sulfanyl)-6-[(1R)-1-hydroxyethyl]-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid
Molecular weight
299.346
clogP
-0.046
clogS
-0.154
HBond Acceptor
5
HBond Donor
4
Total Polar Surface Area
141.52
Number of Rings
2
Rotatable Bond
6
| Drug ID | Common name | Structure CAS | SMILE | Frequency |
|---|---|---|---|---|
| FDBF00001 | methanimidamide |
|
N=CN | 0.0062 |
| FDBF00041 | ethanol |
|
CCO | 0.1474 |
| FDBF00099 | ethanethiol |
|
CCS | 0.0165 |
| FDBF00389 | N'-methylformamidine |
|
NC=NC | 0.0024 |
| FDBF03081 | N'-ethylformamidine |
|
NC=NCC | 0.0003 |
| FDBF03082 | (5R)-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid |
|
O=C1N2C(C1)CC=C2C(=O)O | 0.0003 |
