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Faropenem sodium(CAS No. 122547-49-3)

Faropenem sodium C12H14NNaO5S (cas 122547-49-3) Molecular Structure

122547-49-3 Structure

Identification and Related Records

【Name】
Faropenem sodium
【CAS Registry number】
122547-49-3
【Synonyms】
4-Thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylicacid, 6-(1-hydroxyethyl)-7-oxo-3-(tetrahydro-2-furanyl)-, monosodium salt,[5R-[3(R*),5a,6a(R*)]]-
4-Thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid,6-[(1R)-1-hydroxyethyl]-7-oxo-3-[(2R)-tetrahydro-2-furanyl]-, monosodium salt,(5R,6S)- (9CI)
(5R,6S)-6-[(1R)-1-Hydroxyethyl]-7-oxo-3-[(2R)-2-tetrahydrofuryl]-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylicacid sodium salt
ALP 201
Farom
Fropenem
Furopenem
SY 5555
Wy 49605
Sun 5555
【Molecular Formula】
C12H14NNaO5S (Products with the same molecular formula)
【Molecular Weight】
307.3
【Inchi】
InChI=1/C13H17NO5.Na/c1-6(15)10-8-5-7(9-3-2-4-19-9)11(13(17)18)14(8)12(10)16;/h6,8-10,15H,2-5H2,1H3,(H,17,18);/q;+1/p-1/t6-,8-,9-,10-;/m1./s1
【Canonical SMILES】
CC(C1C2CC(=C(N2C1=O)C(=O)[O-])C3CCCO3)O.[Na+]
【Isomers smiles】
C[C@H]([C@@H]1[C@H]2CC(=C(N2C1=O)C(=O)[O-])[C@H]3CCCO3)O.[Na+]
【MOL File】
122547-49-3.mol

Chemical and Physical Properties

【Appearance】
pale yellow crystals
【Boiling Point】
570.2 °C at 760 mmHg
【Vapour】
2.23E-15mmHg at 25°C
【Flash Point】
298.7 °C
【Computed Properties】
Molecular Weight:289.25961 [g/mol]
Molecular Formula:C13H16NNaO5
H-Bond Donor:1
H-Bond Acceptor:5
Rotatable Bond Count:3
Tautomer Count:2
Exact Mass:289.092617
MonoIsotopic Mass:289.092617
Topological Polar Surface Area:89.9
Heavy Atom Count:20
Formal Charge:0
Complexity:477
Isotope Atom Count:0
Defined Atom Stereocenter Count:4
Undefined Atom Stereocenter Count:0
Defined Bond Stereocenter Count:0
Undefined Bond Stereocenter Count:0
Covalently-Bonded Unit Count:2

Safety and Handling

【Specification】

? Sun 5555 (CAS NO.122547-49-3), its Synonyms are (5R,6S)-6-(1(R)-Hydroxyethyl)-2-(2(R)-tetrahydrofuryl)penem-3-carboxylic acid monosodium salt ; ALP 201 ; CCRIS 6723 ; Fropenum sodium ; 4-Thia-1-azabicyclo(3.2.0)hept-2-ene-2-carboxylic acid, 6-(1-hydroxyethyl)-7-oxo-3-(tetrahydro-2-furanyl)-, monosodium salt, (5R-(3(R*),5-alpha,6-alpha(R*)))- .

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