Doripenem (148016-81-3),Doripenem (148016-81-3) Manufacturers & Suppliers,Synthesis,MSDS

Basic information

Name:
Doripenem
CAS No.:
148016-81-3
Molecular Structure:
Formula:
C₁₅H₂₄N₄O₆S₂
Molecular Weight:
420.50
Synonyms:
1-Azabicyclo[3.2.0]hept-2-ene-2-carboxylicacid,3-[[5-[[(aminosulfonyl)amino]methyl]-3-pyrrolidinyl]thio]-6-(1-hydroxyethyl)-4-methyl-7-oxo-,[4R-[3(3S*,5S*),4a,5b,6b(R*)]]-;Doribax;1-Azabicyclo[3.2.0]hept-2-ene-2-carboxylicacid,3-[[(3S,5S)-5-[[(aminosulfonyl)amino]methyl]-3-pyrrolidinyl]thio]-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-,(4R,5S,6S)-;S 4661;
Density:
1.59 g/cm³
Melting Point:
>186 °C dec.
Boiling Point:
694.8 °C at 760 mmHg
Flash Point:
374 °C
Appearance:
white to off-white powder

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Chemistry

Molecular Structure of Doripenem (CAS NO.148016-81-3):

IUPAC: (4R,5S,6S)-6-(1-Hydroxyethyl)-4-methyl-7-oxo-3-[(3S,5S)-5-[(sulfamoylamino)methyl]pyrrolidin-3-yl]sulfanyl-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid
Molecular Formula: C₁₅H₂₄N₄O₆S₂
Molecular Weight: 420.5 g/mol
Density:1.59 g/cm³
Melting Point: >186 °C dec.
Flash Point: 374 °C
Boiling Point: 694.8 °C at 760 mmHg
Index of Refraction: 1.68
Molar Volume: 263.4 cm³
Surface Tension: 84.7 dyne/cm
Molar Refractivity: 99.63 cm³
Enthalpy of Vaporization: 116.36 kJ/mol
Vapour Pressure:2.49E-22 mmHg at 25 °C
XLogP3-AA: -3.4
H-Bond Donor: 5
H-Bond Acceptor: 9
Rotatable Bond Count: 7
Tautomer Count: 2
Exact Mass: 420.113726
MonoIsotopic Mass: 420.113726
Topological Polar Surface Area: 162
Heavy Atom Count: 27
Canonical SMILES: CC1C2C(C(=O)N2C(=C1SC3CC(NC3)CNS(=O)(=O)N)C(=O)O)C(C)O
Isomeric SMILES: C[C@@H]1[C@@H]2[C@H](C(=O)N2C(=C1S[C@H]3C[C@H](NC3)CNS(=O)(=O)N)C(=O))
[C@@H](C)O
InChI: InChI=1S/C15H24N4O6S2/c1-6-11-10(7(2)20)14(21)19(11)12(15(22)23)13(6)26-9-3-8(17-5-9)4-18-27(16,24)25/h6-11,17-18,20H,3-5H2,1-2H3,(H,22,23)(H2,16,24,25)/t6-,7-,8+,9+,10-,11-/m1/s1
InChIKey: AVAACINZEOAHHE-VFZPANTDSA-N
Product Categories: Chiral Reagents;Intermediates & Fine Chemicals;Pharmaceuticals;Sulfur & Selenium Compounds

History

Doripenem with cas registry number of 148016-81-3 (formerly S-4661, Shionogi Co., Ltd. Japan) is a novel, broad-spectrum parenteral carbapenem antimicrobial with initial research reports dating from international meetings in 1994. It was launched by Shionogi Co. of Japan under the brand name Finibax in 2005, and is being marketed outside Japan by Johnson & Johnson. Then, on October 12, 2007, Doripenem was approved by the United States Food and Drug Administration. It was allowed to be sold under the tradename Doribax.

Uses

Doripenem (CAS NO.148016-81-3) can be used as an antibacterial agent for bacteria infections.

Specification

Doripenem (CAS NO.148016-81-3) is also known as (+)-(4R,5S,6S)-6-((1R)-1-Hydroxyethyl)-4-methyl-7-oxo-3-(((3S,5S)-5-((sulfamoylamino)methyl)-3-pyrrolidinyl)thio)-1-azabicyclo(3.2.0)hept-2-ene-2-carboxylic acid ; Doribax ; S 4661 ; S-4661 ; UNII-BHV525JOBH ; 1-Azabicyclo(3.2.0)hept-2-ene-2-carboxylic acid, 3-(((3S,5S)-5-(((aminosulfonyl)amino)methyl)-3-pyrrolidinyl)thio)-6-((1R)-1-hydroxyethyl)-4-methyl-7-oxo-, (4R,5S,6S)- . Doripenem (CAS NO.148016-81-3) is a chiral reagent with the appearance of white to off-white powder. Doripenem can be soluble in water, slightly soluble in methanol . It is also soluble in N,N-dimethylformamide . It is virtually insoluble in Ethanol . Doripenem is an ultra-broad spectrum injectable antibiotic.