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Meropenem(CAS No. 96036-03-2)

Meropenem C17H25N3O5S (cas 96036-03-2) Molecular Structure

96036-03-2 Structure

Identification and Related Records

【Name】
Meropenem
【CAS Registry number】
96036-03-2
【Synonyms】
1-Azabicyclo[3.2.0]hept-2-ene-2-carboxylicacid,3-[[(3S,5S)-5-[(dimethylamino)carbonyl]-3-pyrrolidinyl]thio]-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-,(4R,5S,6S)-
1-Azabicyclo[3.2.0]hept-2-ene-2-carboxylicacid,3-[[5-[(dimethylamino)carbonyl]-3-pyrrolidinyl]thio]-6-(1-hydroxyethyl)-4-methyl-7-oxo-,[4R-[3(3S*,5S*),4a,5b,6b(R*)]]-
Antibiotic SM 7338
ICI 194660
Mepem
Meronem
Meropen
Merrem
Merrem IV
SM 7338
【Molecular Formula】
C17H25N3O5S (Products with the same molecular formula)
【Molecular Weight】
383.46
【Inchi】
InChI=1/C17H25N3O5S/c1-7-12-11(8(2)21)16(23)20(12)13(17(24)25)14(7)26-10-6-5-9(18-10)15(22)19(3)4/h7-12,18,21H,5-6H2,1-4H3,(H,24,25)/t7-,8-,9+,10+,11-,12-/m1/s1
【MOL File】
96036-03-2.mol

Chemical and Physical Properties

【Appearance】
White or almost white powder Complies
【Density】
1.42 g/cm3
【Boiling Point】
627.4 oC at 760 mmHg
【Refractive Index】
333.2 oC
【Computed Properties】
Molecular Weight:383.4625 [g/mol]
Molecular Formula:C17H25N3O5S
XLogP3-AA:-2.4
H-Bond Donor:3
H-Bond Acceptor:7
Rotatable Bond Count:5
Tautomer Count:2
Exact Mass:383.151492
MonoIsotopic Mass:383.151492
Topological Polar Surface Area:136
Heavy Atom Count:26
Formal Charge:0
Complexity:679
Isotope Atom Count:0
Defined Atom Stereocenter Count:6
Undefined Atom Stereocenter Count:0
Defined Bond Stereocenter Count:0
Undefined Bond Stereocenter Count:0
Covalently-Bonded Unit Count:1
Feature 3D Acceptor Count:5
Feature 3D Donor Count:2
Feature 3D Anion Count:1
Feature 3D Cation Count:1
Feature 3D Ring Count:2
Effective Rotor Count:7.4
Conformer Sampling RMSD:0.8
CID Conformer Count:48

Safety and Handling

【Hazard Codes】
Xi: Irritant;
【Risk Statements】
R36/37/38
【Safety Statements 】
26-37/39
【Safety】

Hazard Codes:?IrritantXi
Risk Statements: 36/37/38
R36/37/38:Irritating to eyes, respiratory system and skin.
Safety Statements: 26-37/39?
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.?
S37/39:Wear suitable gloves and eye/face protection.

【Specification】

?Meropenem , its cas register number is 96036-03-2. It also can be called Meropenemum ;?and Merrem .
?Meropenem (CAS NO.96036-03-2) was originally developed by Sumitomo Pharmaceuticals. It is marketed outside Japan by AstraZeneca with the brand names Merrem and Meronem . Other brand names include Mepem (Taiwan) , Meropen (Japan, Korea) and Neopenem (India) . It gained FDA approval in July 1996. It penetrates well into many tissues and body fluids including the cerebrospinal fluid, bile, heart valves, lung, and peritoneal fluid.

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