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| CAS No.: | 119478-56-7 |
|---|---|
| Name: | (4R,5S,6S)-3-[[(3S,5S)-5-(Dimethylcarbamoyl)pyrrolidin-3-yl]thio]-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid |
| Molecular Structure: | |
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| Formula: | C17H25N3O5S.3H2O |
| Molecular Weight: | 437.514 |
| Synonyms: | Meropenem trihydrate;meropenem;meropenemtrihydrate(3-[[5-[(dimethylamino)carbonyl]-3-pyrrolidinyl]thio]-6-(1-hydroxyethyl)-4-methyl-7-oxo-1-azabicyclo[3,2,0]hept-2-ene-2-carboxylicacidtrihydrate);3-[[5-[(dimethylamino)carbonyl]-3-pyrrolidinyl]thio]-6-(1-hydroxyethyl)-4-methyl-7-oxo-1-azabicyclo[3,2,0]hept-2-ene-2-carboxylic acid trihydrate;(4r,5s,6s)-3-[[(3s,5s)-5-(dimethylcarbamoyl)pyrrolidin-3-yl]thio]-6-[(1r)-1-hydroxyethyl]-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid;(4r,5s,6s)-3-[[(3s,5s)-5-(dimethylcarbamoyl)-3-pyrrolidinyl]thio]-6-[(1r)-1-hydroxyethyl]-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid trihydrate;eropenem trihydrate;meropenem trihydrochlorid e; |
| EINECS: | 1312995-182-4 |
| Density: | 1.42 g/cm3 |
| Boiling Point: | 627.4 °C at 760 mmHg |
| Flash Point: | 333.2 °C |
| Hazard Symbols: | Xi |
| Risk Codes: | 36/37/38 |
| Safety: | 26 |
| PSA: | 163.17000 |
| LogP: | -0.23420 |
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Chemistry
Molecular Structure of Meropenem (CAS NO.119478-56-7):
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IUPAC Name: (4R,5S,6S)-3-[(3S,5S)-5-(dimethylcarbamoyl)pyrrolidin-3-yl]sulfanyl-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid trihydrate
Empirical Formula: C17H25N3O5S
Molecular Weight: 383.4625
H bond acceptors: 8
H bond donors: 3
Freely Rotating Bonds: 6
Polar Surface Area: 104.69 Å2
Index of Refraction: 1.639
Molar Refractivity: 96.79 cm3
Molar Volume: 268.8 cm3
Polarizability: 38.37 10-24cm3
Surface Tension: 68.4 dyne/cm
Density: 1.42 g/cm3
Flash Point: 333.2 °C
Enthalpy of Vaporization: 106.42 kJ/mol
Boiling Point: 627.4 °C at 760 mmHg
Vapour Pressure: 2.27E-18 mmHg at 25°C
InChI
InChI=1/C17H25N3O5S.3H2O/c1-7-12-11(8(2)21)16(23)20(12)13(17(24)25)14(7)26-9-5-10(18-6-9)15(22)19(3)4;;;/h7-12,18,21H,5-6H2,1-4H3,(H,24,25);3*1H2/t7-,8+,9+,10+,11?,12?;;;/m1.../s1
Smiles
N12[C@@H]([C@@H]([C@H](C)O)C2=O)[C@@H](C)C(=C1C(O)=O)S[C@H]1C[C@@H](C(N(C)C)=O)NC1.O.O.O
Classification Code: Antibacterial
Specification
Meropenem , with CAS number of 119478-56-7, can be called eropenem trihydrate;meropenem trihydrochlorid e ; (4r,5s,6s)-3-[[(3s,5s)-5-(dimethylcarbamoyl)-3-pyrrolidinyl]thio]-6-[(1r)-1-hydroxyethyl]-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid trihydrate ; 1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid, 3-[[5-[(dimethylamino)carbonyl]-3-pyrrolidinyl]thio]-6-(1-hydroxyethyl)-4-methyl-7-oxo-, trihydrate, [4r-[3(3s*,5s*),4a,5b,6b(r*)]]- (9cl) ; 3-[[5-[(dimethylamino)carbonyl]-3-pyrrolidinyl]thio]-6-(1-hydroxyethyl)-4-methyl-7-oxo-1-azabicyclo[3,2,0]hept-2-ene-2-carboxylic acid trihydrate ; (4r,5s,6s)-3-[[(3s,5s)-5-(dimethylcarbamoyl)pyrrolidin-3-yl]thio]-6-[(1r)-1-hydroxyethyl]-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid ; meropenem;meropenemtrihydrate(3-[[5-[(dimethylamino)carbonyl]-3-pyrrolidinyl]thio]-6-(1-hydroxyethyl)-4-methyl-7-oxo-1-azabicyclo[3,2,0]hept-2-ene-2-carboxylicacidtrihydrate) .