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| Name |
Protected Imipenem |
EINECS | N/A |
| CAS No. | 98367-45-4 | Density | 1.55g/cm3 |
| PSA | 234.47000 | LogP | 4.43240 |
| Solubility | N/A | Melting Point |
N/A |
| Formula | C27H27N5O10S | Boiling Point | 791.6°C at 760 mmHg |
| Molecular Weight | 613.61 | Flash Point | 432.5°C |
| Transport Information | N/A | Appearance | N/A |
| Safety | Risk Codes | N/A | |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
1-Azabicyclo[3.2.0]hept-2-ene-2-carboxylicacid,6-(1-hydroxyethyl)-3-[[2-[[[[[(4-nitrophenyl)methoxy]carbonyl]amino]methylene]amino]ethyl]thio]-7-oxo-,(4-nitrophenyl)methyl ester, [5R-[5a,6a(R*)]]- (9CI);(5R,6S)-4-Nitrobenzyl-3-[[2-[[[[[(4-nitrophenyl)methoxy]carbonyl]amino]methylene]amino]ethyl]thio]-6-[(1R)-1-hydroxyethyl]-7-oxo-1-azabicyclo[3,2,0]hept-2-ene-2-carboxylate;Bis Protected Imipenem; |
Protected Imipenem Specification
The protected imipenem with cas registry number of 98367-45-4, is also named 1-Azabicyclo[3.2.0]hept-2-ene-2-carboxylicacid,6-(1-hydroxyethyl)-3-[[2-[[[[[(4-nitrophenyl)methoxy]carbonyl]amino]methylene]amino]ethyl]thio]-7-oxo-,(4-nitrophenyl)methyl ester, [5R-[5a,6a(R*)]]- (9CI) ; (5R,6S)-4-Nitrobenzyl-3-[[2-[[[[[(4-nitrophenyl)methoxy]carbonyl]amino]methylene]amino]ethyl]thio]-6-[(1R)-1-hydroxyethyl]-7-oxo-1-azabicyclo[3,2,0]hept-2-ene-2-carboxylate ; Bis Protected Imipenem ; (4R,5S,6S)-4-NITROBENZYL-3-[[(3S,5S)-5-[(DIMETHYLAMINO)CARBONYL]-1-[[(4-NITROBENZYL)OXY] CARBONYL]-3-PYRROLIDINYL]THIO]-6-[(1R)-1-HYDROXYETHYL]-4-METHYL-7-OXO-1-AZABICYCLO[3,2,0] HEPT-2-ENE-2-CARBOXYLATE .
Preparation of Protected Imipenem : (1)ACD/LogP: 1.70; (2)# of Rule of 5 Violations: 2; (3)ACD/LogD (pH 5.5): 1.19; (4)ACD/LogD (pH 7.4): 1.69; (5)#H bond acceptors: 13; (6)#H bond donors: 2; (7)#Freely Rotating Bonds: 12; (8)Polar Surface Area: 208.17 Å2; (9)Index of Refraction: 1.711; (10)Molar Refractivity: 135.91 cm3; (11)Molar Volume: 347.1 cm3; (12)Polarizability: 53.88×10-24cm3; (13)Surface Tension: 70.1 dyne/cm; (14)Enthalpy of Vaporization: 120.75 kJ/mol; (15)Vapour Pressure: 2.06E-26 mmHg at 25°C .
You can still convert the following datas into molecular structure: (1)SMILES:CC(C1C2CC(=C(N2C1=O)C(=O)Oc3ccc(cc3)[N+](=O)[O-])SCCNC=Nc4ccc(cc4)[N+](=O)[O-])O; (2)InChI:InChI=1/C24H23N5O8S/c1-14(30)21-19-12-20(38-11-10-25-13-26-15-2-4-16(5-3-15)28(33)34)22(27(19)23(21)31)24(32)37-18-8-6-17(7-9-18)29(35)36/h2-9,13-14,19,21,30H,10-12H2,1H3,(H,25,26)/t14?,19-,21-/m1/s1; (3)InChIKey:YDWAQCQEJLIZEJ-VDSOWTFZBW; (4)Std. InChI:InChI=1S/C24H23N5O8S/c1-14(30)21-19-12-20(38-11-10-25-13-26-15-2-4-16(5-3-15)28(33)34)22(27(19)23(21)31)24(32)37-18-8-6-17(7-9-18)29(35)36/h2-9,13-14,19,21,30H,10-12H2,1H3,(H,25,26)/t14?,19-,21-/m1/s1; (5)Std. InChIKey:YDWAQCQEJLIZEJ-VDSOWTFZSA-N.
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