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158365-51-6 molecular structure
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(5R,6S)-6-[(1R)-1-hydroxyethyl]-7-oxo-3-[(2R)-oxolan-2-yl]-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid sodium

ChemBase ID: 168871
Molecular Formular: C12H15NNaO5S
Molecular Mass: 308.30597
Monoisotopic Mass: 308.05686287
SMILES and InChIs

SMILES:
[C@@H]1(C(=O)N2[C@@H]1SC(=C2C(=O)O)[C@@H]1OCCC1)[C@H](O)C.[Na]
Canonical SMILES:
C[C@H]([C@H]1C(=O)N2[C@@H]1SC(=C2C(=O)O)[C@H]1CCCO1)O.[Na]
InChI:
InChI=1S/C12H15NO5S.Na/c1-5(14)7-10(15)13-8(12(16)17)9(19-11(7)13)6-3-2-4-18-6;/h5-7,11,14H,2-4H2,1H3,(H,16,17);/t5-,6-,7+,11-;/m1./s1
InChIKey:
ZAHYBLKQUGVSKQ-VUKDEKJYSA-N

Cite this record

CBID:168871 http://www.chembase.cn/molecule-168871.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(5R,6S)-6-[(1R)-1-hydroxyethyl]-7-oxo-3-[(2R)-oxolan-2-yl]-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid sodium
IUPAC Traditional name
faropenem sodium
Synonyms
[5R-[3(R*),5α,6α(R*)]]-6-(1-Hydroxyethyl)-7-oxo-3-(tetrahydro-2-furanyl)-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic Acid Monosodium Salt
Faropenem Sodium Salt Hemipentahydrate
CAS Number
158365-51-6
PubChem SID
162263003
PubChem CID
9818066

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
TRC F103300 external link Add to cart
PubChem 9818066 external link
Data Source Data ID Price
TRC
F103300 external link Add to cart Please log in.
Data Source Data ID
PubChem 9818066 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 4.1632895  H Acceptors
H Donor LogD (pH = 5.5) -2.1061792 
LogD (pH = 7.4) -3.8107867  Log P -0.7526909 
Molar Refractivity 69.2556 cm3 Polarizability 26.680937 Å3
Polar Surface Area 87.07 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Solubility
Methanol expand Show data source
Water expand Show data source
Apperance
Pale Yellow Solid expand Show data source
Melting Point
155-157°C expand Show data source
Storage Condition
-20°C Freezer expand Show data source
MSDS Link
Download expand Show data source
Certificate of Analysis
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DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

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