2-Heptenoicacid,7-[[(2R)-2-amino-2-carboxyethyl]thio]-2-[[[(1S)-2,2-dimethylcyclopropyl]carbonyl]amino]-,sodium salt (1:1), (2Z)-

.

Formula C12H17N3O4S 
Mol. mass 299.347 g/mol

Imipenem is rapidly degraded by the renal enzyme dehydropeptidase 1 when administered alone, and is always co-administered with cilastatin to prevent this inactivation.

The Imipenem with CAS registry number of 81129-83-1 is also known as Cilastatin sodium. The IUPAC name is Sodium(Z)-7-[(2S)-2-amino-2-carboxyethyl]sulfanyl-2-[[(1S)-2,2-dimethylcyclopropanecarbonyl]amino]hept-2-enoate. It belongs to product categories of Miscellaneous Enzyme. Its EINECS registry number is 279-694-4. In addition, the formula is C₁₆H₂₆N₂O₅S.Na and the molecular weight is 380.43. This chemical is a white crystal powder.

Physical properties about Imipenem are: (1)ACD/LogP: 2.42; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): -0.97; (4)ACD/LogD (pH 7.4): -1.11; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 7; (10)#H bond donors: 5; (11)#Freely Rotating Bonds: 12; (12)Flash Point: 350.2 °C; (13)Enthalpy of Vaporization: 105.28 kJ/mol; (14)Boiling Point: 655.5 °C at 760 mmHg; (15)Vapour Pressure: 7.13E-19 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
1. Canonical SMILES: CC1(CC1C(=O)NC(=CCCCCSCC(C(=O)O)N)C(=O)[O-])C.[Na+]Isomeric SMILES: CC1(C[C@@H]1C(=O)N/C(=C\CCCCSC[C@H](C(=O)O)N)/C(=O)[O-])C.[Na+]
2. InChI: InChI=1S/C16H26N2O5S.Na/c1-16(2)8-10(16)13(19)18-12(15(22)23)6-4-3-5-7-24-9-11(17)14(20)21;/h6,10-11H,3-5,7-9,17H2,1-2H3,(H,18,19)(H,20,21)(H,22,23);/q;+1/p-1/b12-6-;/t10-,11-;/m1./s1
3. InChIKey: QXPBTTUOVWMPJN-VQAYNFQASA-M

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
mouse	LD50	intravenous	6786mg/kg (6786mg/kg)		Chemotherapy Vol. 33(Suppl,
mouse	LD50	oral	> 10gm/kg (10000mg/kg)		Chemotherapy Vol. 33(Suppl,
mouse	LD50	subcutaneous	> 10gm/kg (10000mg/kg)	BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD LUNGS, THORAX, OR RESPIRATION: PLEURAL THICKENING	Chemotherapy Vol. 33(Suppl,
rat	LD50	intravenous	5027mg/kg (5027mg/kg)		Chemotherapy Vol. 33(Suppl,
rat	LD50	oral	> 10gm/kg (10000mg/kg)		Chemotherapy Vol. 33(Suppl,
rat	LD50	subcutaneous	> 10gm/kg (10000mg/kg)	BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD LUNGS, THORAX, OR RESPIRATION: PLEURAL THICKENING	Chemotherapy Vol. 33(Suppl,