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Retapamulin

CAT: 0013-GTR19162946-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19162946-02Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
An pleuromutilin antibiotic, specifically a protein synthesis inhibitor by interacting on the 50S subunit of the bacterial ribosome; demonstrates high efficacy against certain Gram-positive bacteria including MRSA.Bacterial Infection Approved.
CAS Number
224452-66-8
Product Name Alternative
SB-275833
Field of Research
Pharmacology & Drug Discovery
Purity
>98% (HPLC)
Solubility
DMSO: ≥ 52 mg/mL
Smiles
O=C (O[C@@H]1C[C@] (C=C) (C) [C@@H] (O) [C@H] (C) [C@]2 (CCC3=O) [C@]3 ([H]) [C@]1 (C) [C@H] (C) CC2) CS[C@@H]4C[C@@] (N5C) ([H]) CC[C@@]5 ([H]) C4
Molecular Formula
C30H47NO4S
Molecular Weight
517.7635
Storage Conditions
Storage temperature: -20°C. Stability: ≥ 2 years
Notes
For research use only.
Other Product Names
Acetic acid, 2-[[ (3-exo) -8-methyl-8-azabicyclo[3.2.1]oct-3-yl]thio]-, (3aS,4R,5S,6S,8R,9R,9aR,10R) -6-ethenyldecahydro-5-hydroxy-4,6,9,10-tetramethyl-1-oxo-3a,9-propano-3aH-cyclopentacycloocten-8-yl ester

Chemical Information

Retapamulin

Retapamulin is a carboxylic ester, a carbotricyclic compound and a cyclic ketone.

CAS Number224452-66-8
PubChem CID6918462
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-[[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]sulfanyl]acetate
Molecular FormulaC30H47NO4S
Molecular Weight517.8
XLogP6.1
Topological Polar Surface Area92.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count6
Heavy Atom Count36
Formal Charge0
Complexity895
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)CSC4C[C@H]5CC[C@@H](C4)N5C)C
InChI
InChI=1S/C30H47NO4S/c1-7-28(4)16-24(35-25(33)17-36-22-14-20-8-9-21(15-22)31(20)6)29(5)18(2)10-12-30(19(3)27(28)34)13-11-23(32)26(29)30/h7,18-22,24,26-27,34H,1,8-17H2,2-6H3/t18-,19+,20-,21+,22?,24-,26+,27+,28-,29+,30+/m1/s1
InChIKey
STZYTFJPGGDRJD-FJJJPKKESA-N
Chemical Structure
2D Structure
2D structure of Retapamulin
CAS: 224452-66-8
CID: 6918462
Formula: C30H47NO4S
MW: 517.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight517.8
XLogP36.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count6
Exact Mass517.32258015
Monoisotopic Mass517.32258015
Topological Polar Surface Area92.1 Ų
Heavy Atom Count36
Formal Charge0
Complexity895
Isotope Atom Count0
Defined Atom Stereocenter Count10
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
OR1026731-01Retapamulin

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