Basic information
- Name:
1-Azabicyclo[3.2.0]hept-2-ene-2-carboxylicacid, 6-[(1R)-1-hydroxyethyl]-3-[[2-[(iminomethyl)amino]ethyl]thio]-7-oxo-,hydrate (1:1), (5R,6S)-
- Superlist Name:
- Imipenem
- CAS No.:
74431-23-5
- Molecular Structure:
![Molecular Structure of 74431-23-5 (1-Azabicyclo[3.2.0]hept-2-ene-2-carboxylicacid, 6-[(1R)-1-hydroxyethyl]-3-[[2-[(iminomethyl)amino]ethyl]thio]-7-oxo-,hydrate (1:1), (5R,6S)-)](http://www.lookchem.com/300w/2010/0624/74431-23-5.jpg)
- Formula:
- C12H17N3O4S.H2O
- Molecular Weight:
- 317.36
- Synonyms:
- 1-Azabicyclo[3.2.0]hept-2-ene-2-carboxylicacid, 6-(1-hydroxyethyl)-3-[[2-[(iminomethyl)amino]ethyl]thio]-7-oxo-,monohydrate, [5R-[5a,6a(R*)]]-;1-Azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid,6-[(1R)-1-hydroxyethyl]-3-[[2-[(iminomethyl)amino]ethyl]thio]-7-oxo-,monohydrate, (5R,6S)- (9CI);Imipenem monohydrate;N-Formimidoyl thienamycinmonohydrate;
- Boiling Point:
- 567.3 °C at 760 mmHg
- Flash Point:
- 296.9 °C
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Specification
The CAS registry number of 1-Azabicyclo[3.2.0]hept-2-ene-2-carboxylicacid, 6-[(1R)-1-hydroxyethyl]-3-[[2-[(iminomethyl)amino]ethyl]thio]-7-oxo-,hydrate (1:1), (5R,6S)- is 74431-23-5. The IUPAC name is (5R,6S)-3-[2-(aminomethylideneamino)ethylsulfanyl]-6-[(1R)-1-hydroxyethyl]-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid hydrate. In addition, the molecular formula is C12H17N3O4S.H2O and the molecular weight is 317.36. And it is stable to beta-lactamases. It is semisynthetic thienamycin that has a wide spectrum of antibacterial activity against gram-negative.
Physical properties about this chemical are: (1)ACD/LogP: -2.29; (2)ACD/LogD (pH 5.5): -4.74; (3)ACD/LogD (pH 7.4): -4.79; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 7; (9)#H bond donors: 4; (10)#Freely Rotating Bonds: 7; (11)Polar Surface Area: 96.74 Å2; (12)Flash Point: 296.9 °C; (13)Enthalpy of Vaporization: 97.84 kJ/mol; (14)Boiling Point: 567.3 °C at 760 mmHg; (15)Vapour Pressure: 3.11E-15 mmHg at 25°C.
Preparation of 1-Azabicyclo[3.2.0]hept-2-ene-2-carboxylicacid, 6-[(1R)-1-hydroxyethyl]-3-[[2-[(iminomethyl)amino]ethyl]thio]-7-oxo-,hydrate (1:1), (5R,6S)-: it can be prepared by 6-APA. The equation is as follows:
![1-Azabicyclo[3.2.0]hept-2-ene-2-carboxylicacid, 6-[(1R)-1-hydroxyethyl]-3-[[2-[(iminomethyl)amino]ethyl]thio]-7-oxo-,hydrate (1:1), (5R,6S)- can be prepared by 6-APA](/UserFilesUpload/Preparation of 1-Azabicyclo[3.2.0]hept-2-ene-2-carboxylicacid, 6-[(1R)-1-hydroxyethyl]-3-[[2-[(iminomethyl)amino]ethyl]thio]-7-oxo-,hydrate, (5R,6S)-(1).jpg)
![1-Azabicyclo[3.2.0]hept-2-ene-2-carboxylicacid, 6-[(1R)-1-hydroxyethyl]-3-[[2-[(iminomethyl)amino]ethyl]thio]-7-oxo-,hydrate (1:1), (5R,6S)- can be prepared by 6-APA](/UserFilesUpload/Preparation of 1-Azabicyclo[3.2.0]hept-2-ene-2-carboxylicacid, 6-[(1R)-1-hydroxyethyl]-3-[[2-[(iminomethyl)amino]ethyl]thio]-7-oxo-,hydrate,(5R,6S)-(1).jpg)
Uses of 1-Azabicyclo[3.2.0]hept-2-ene-2-carboxylicacid, 6-[(1R)-1-hydroxyethyl]-3-[[2-[(iminomethyl)amino]ethyl]thio]-7-oxo-,hydrate (1:1), (5R,6S)-: it can be used in the treatment of urethral infection, and lower respiratory tract infection, intra-abdominal infections, skin and soft tissue infection, digestive system infection, osteomyelitis, prostatitis, bacteremia, etc.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)/C1=C(\SCC/N=C/N)C[C@H]2N1C(=O)[C@@H]2[C@H](O)C.O
(2)InChI: InChI=1/C12H17N3O4S.H2O/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);1H2/t6-,7-,9-;/m1./s1
(3)InChIKey: GSOSVVULSKVSLQ-JJVRHELEBB
