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Pleuromutilin

CAT: 0572-TRC-P610500-10GSize: 10 gDry Ice: NoHazardous: No
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CAT#:0572-TRC-P610500-10GSize:10 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
125-65-5
Synonyms
Tiamulin Hydrogen Fumarate Imp. G (EP); Tiamulin Imp. G (EP); Pleuromutilin; (3aS,4R,5S,6S,8R,9R,9aR,10R)-6-Ethenyl-5-hydroxy-4,6,9,10-tetramethyl-1-oxodecahydro-3a,9-propano-3aH-cyclopentacycloocten-8-yl Hydroxyacetate; Valnemulin Imp. E (EP); Tiamulin Hydrogen Fumarate Imp. G; Retapamulin related; Tiamulin Hydrogen Fumarate Impurity G; Valnemulin Hydrochloride Impurity E; Tiamulin Impurity G; Valnemulin Impurity E
Hazard Statement
No Data Available
Purity
>95% (HPLC)
Smiles
C[C@@H]1CC[C@@]23CCC(=O)[C@H]2[C@]1(C)[C@@H](C[C@@](C)(C=C)[C@@H](O)[C@@H]3C)OC(=O)CO
Molecular Formula
C22 H34 O5
Molecular Weight
378.5
InChI
InChI=1S/C22H34O5/c1-6-20(4)11-16(27-17(25)12-23)21(5)13(2)7-9-22(14(3)19(20)26)10-8-15(24)18(21)22/h6,13-14,16,18-19,23,26H,1,7-12H2,2-5H3/t13-,14+,16-,18+,19+,20-,21+,22+/m1/s1
Additionnal Information
IUPAC name: (3aS,4R,5S,6S,8R,9R,9aR,10R)-6-Ethenyl-5-hydroxy-4,6,9,10-tetramethyl-1-oxodecahydro-3a,9-propano-3aH-cyclopentacycloocten-8-yl Hydroxyacetate
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

Pleuromutilin

Pleuromulin is a small molecule drug. Pleuromulin has a monoisotopic molecular weight of 378.24 Da.

CAS Number125-65-5
PubChem CID9886081
IUPAC Name[(1S,2R,3S,4S,6R,7R,8R,14R)-4-ethenyl-3-hydroxy-2,4,7,14-tetramethyl-9-oxo-6-tricyclo[5.4.3.01,8]tetradecanyl] 2-hydroxyacetate
Molecular FormulaC22H34O5
Molecular Weight378.5
XLogP3.5
Topological Polar Surface Area83.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Heavy Atom Count27
Formal Charge0
Complexity645
SMILES
C[C@@H]1CC[C@@]23CCC(=O)[C@H]2[C@@]1([C@@H](C[C@@]([C@H]([C@@H]3C)O)(C)C=C)OC(=O)CO)C
InChI
InChI=1S/C22H34O5/c1-6-20(4)11-16(27-17(25)12-23)21(5)13(2)7-9-22(14(3)19(20)26)10-8-15(24)18(21)22/h6,13-14,16,18-19,23,26H,1,7-12H2,2-5H3/t13-,14+,16-,18+,19+,20-,21+,22+/m1/s1
InChIKey
ZRZNJUXESFHSIO-BKUNHTPHSA-N
Chemical Structure
2D Structure
2D structure of Pleuromutilin
CAS: 125-65-5
CID: 9886081
Formula: C22H34O5
MW: 378.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight378.5
XLogP33.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Exact Mass378.24062418
Monoisotopic Mass378.24062418
Topological Polar Surface Area83.8 Ų
Heavy Atom Count27
Formal Charge0
Complexity645
Isotope Atom Count0
Defined Atom Stereocenter Count8
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
P091-25MGPleuromutilin
HY-N2301R-01Pleuromutilin (Standard)
KCA92438-01Pleuromutilin-22-mesylate
462743-01Pleuromutilin 22-Mesylate
P4270-90Pleuromutilin (Drosophilin B, Antibiotic A 40104C)

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