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Name	Imipenem-Cilastatin sodium hydrate	EINECS	1592732-453-0
CAS No.	92309-29-0	Density	N/A
PSA	308.60000	LogP	1.37730
Solubility	N/A	Melting Point	N/A
Formula	C₂₈H₄₃N₅O₉S₂	Boiling Point	990.4 °C at 760 mmHg
Molecular Weight	697.8	Flash Point	552.8 °C
Transport Information	N/A	Appearance	N/A
Safety		Risk Codes	N/A
Molecular Structure		Hazard Symbols	N/A
Synonyms	Tienam 500;Primaxin;1-Azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid,6-[(1R)-1-hydroxyethyl]-3-[[2-[(iminomethyl) amino]ethyl]thio]-7-oxo-,(5R,6S)-,mixt. with (2Z)-7-[[(2R)-2-amino-2-carboxyethyl] thio]-2-[[[(1S)-2,2-dimethylcyclopropyl]- carbonyl]amino]-2-heptenoic acid;Primaxin (TN);sodium; (Z)-7-[(2R)-2-amino-2-carboxy-ethyl]sulfanyl-2-[[(1S)-2,2-dimethylcyclopropanecarbonyl]amino]hept-2-enoate; (5R,6S)-3-[2-(aminomethylideneamino)ethylsulfanyl]-6-(1-hydroxyethyl)-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid;MK 787-MK 791 mixture;Tainem;Imipenem-cilastatin;Tienam (TN);1-Azabicyclo(3.2.0)hept-2-ene-2-carboxylic acid, 6-((1R)-1-hydroxyethyl)-3-((2-((iminomethyl)amino)ethyl)thio)-7-oxo-, (5R,6S)-, mixt. with (2Z)-7-(((2R)-2-amino-2-carboxyethyl)thio)-2-((((1S)-2,2-dimethylcyclopropyl)carbonyl)amino)-2-heptenoic acid;85960-17-4;MK 0787-MK 0791 mixture;1-Azabicyclo(3.2.0)hept-2-ene-2-carboxylic acid, 6-(1-hydroxyethyl)-3-((2-((iminomethyl)amino)ethyl)thio)-7-oxo-, (5R-(5alpha,6alpha(R)))-, mixt. with (R-(R,S*-(Z)))-7-((2-amino-2-carboxyethyl)thio)-2-(((2,2-dimethylcyclopropyl)carbonyl)amino)-2-heptanoic acid;MK-0787 / MK-0791 (1:1);7-[(2S)-2-amino-2-carboxy-ethyl]sulfanyl-2-[[(1S)-2,2-dimethylcyclopropanecarbonyl]amino]hept-2-enoic acid; (5R)-3-[2-(aminomethylideneamino)ethylsulfanyl]-6-(1-hydroxyethyl)-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid;Thienam;Imipenem/Cilastatin Sodium;

Imipenem-Cilastatin sodium hydrate Specification

The Imipenem-Cilastatin sodium hydrate, with the CAS registry number 92309-29-03, is also known as Primaxin. This chemical's molecular formula is C₂₈H₄₃N₅O₉S₂ and molecular weight is 697.8. What's more, its systematic name is (Z)-7-[(2R)-2-Amino-3-hydroxy-3-oxo-propyl]sulfanyl-2-[[(1S)-2,2-dimethylcyclopropanecarbonyl]amino]hept-2-enoic acid; (5R,6S)-6-(1-hydroxyethyl)-3-(2-methanimidamidoethylsulfanyl)-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid; hydrate and its IUPAC name is (Z)-7-[(2S)-2-Amino-3-hydroxy-3-oxopropyl]sulfanyl-2-[[(1S)-2,2-dimethylcyclopropanecarbonyl]amino]hept-2-enoic acid;(5R,6S)-3-[2-(aminomethylideneamino)ethylsulfanyl]-6-[(1R)-1-hydroxyethyl]-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid. It's a broad spectrum beta-lactam antibiotic containing equal quantities of imipenem and cilastatin.

Physical properties about Imipenem-Cilastatin sodium hydrate are: (1) # of Rule of 5 Violations: 3; (2) #H bond acceptors: 1; (3) #H bond donors: 0; (4) #Freely Rotating Bonds: 1; (5) Polar Surface Area: 17.07 Å²; (6) Flash Point: 552.8 °C; (7) Enthalpy of Vaporization: 163.67kJ/mol; (8) Boiling Point: 990.4 °C at 760 mmHg; (9) Vapour Pressure: 0 mmHg at 25°C.

(1) SMILES: O.O[C@H](C)[C@H]2C(=O)N1C(=C(/C[C@@H]12)SCCNC=N)\C(O)=O.OC(=O)[C@@H](N)CSCCCC\C=C(/NC(=O)[C@H]1CC1(C)C)C(O)=O
(2) InChI: InChI=1/C16H26N2O5S.C12H17N3O4S.H2O/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;1-6(16)9-7-4-8(20-3-2-14-5-13)10(12(18)19)15(7)11(9)17;/h6,10-11H,3-5,7-9,17H2,1-2H3,(H,18,19)(H,20,21)(H,22,23);5-7,9,16H,2-4H2,1H3,(H2,13,14)(H,18,19);1H2/b12-6-;;/t10-,11+;6-,7-,9-;/m11./s1
(3) InChIKey: DAYDLKPFBFPKHL-KJWPAVRRBH

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