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Solithromycin

CAT: 1568-C10862-05Size: 1 gDry Ice: YesHazardous: No
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CAT#:1568-C10862-05Size:1 g
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CAS Number
760981-83-7
Synonyms
CEM-101, OP-1068
SKU
C10862-25mg
Target
Bacterial
Applications
Microbiology
Smiles
CCC1C2 (C (C (C (=O) C (CC (C (C (C (=O) C (C (=O) O1) (C) F) C) OC3C (C (CC (O3) C) N (C) C) O) (C) OC) C) C) N (C (=O) O2) CCCCN4C=C (N=N4) C5=CC (=CC=C5) N) C
Molecular Formula
C43H65FN6O10
Additionnal Information
Solithromycin (CEM-101, OP-1068), belonging to the well-known class of macrolide antibiotics that also includes azithromycin, is a potent bacterial protein synthesis inhibitor.
Storage Conditions
2 years -80 in solvent

Chemical Information

Solithromycin

Solithromycin is an aminoglycoside.

CAS Number760981-83-7
PubChem CID25242512
IUPAC Name(1S,2R,5S,7R,8R,9R,11R,13R,14R)-15-[4-[4-(3-aminophenyl)triazol-1-yl]butyl]-8-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-2-ethyl-5-fluoro-9-methoxy-1,5,7,9,11,13-hexamethyl-3,17-dioxa-15-azabicyclo[12.3.0]heptadecane-4,6,12,16-tetrone
Molecular FormulaC43H65FN6O10
Molecular Weight845.0
XLogP4.3
Topological Polar Surface Area198
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count15
Rotatable Bond Count11
Heavy Atom Count60
Formal Charge0
Complexity1530
SMILES
CC[C@@H]1[C@@]2([C@@H]([C@H](C(=O)[C@@H](C[C@@]([C@@H]([C@H](C(=O)[C@](C(=O)O1)(C)F)C)O[C@H]3[C@@H]([C@H](C[C@H](O3)C)N(C)C)O)(C)OC)C)C)N(C(=O)O2)CCCCN4C=C(N=N4)C5=CC(=CC=C5)N)C
InChI
InChI=1S/C43H65FN6O10/c1-12-32-43(8)35(50(40(55)60-43)19-14-13-18-49-23-30(46-47-49)28-16-15-17-29(45)21-28)26(4)33(51)24(2)22-41(6,56-11)37(27(5)36(53)42(7,44)39(54)58-32)59-38-34(52)31(48(9)10)20-25(3)57-38/h15-17,21,23-27,31-32,34-35,37-38,52H,12-14,18-20,22,45H2,1-11H3/t24-,25-,26+,27+,31+,32-,34-,35-,37-,38+,41-,42+,43-/m1/s1
InChIKey
IXXFZUPTQVDPPK-ZAWHAJPISA-N
Chemical Structure
2D Structure
2D structure of Solithromycin
CAS: 760981-83-7
CID: 25242512
Formula: C43H65FN6O10
MW: 845.0
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight845.0
XLogP34.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count15
Rotatable Bond Count11
Exact Mass844.47462045
Monoisotopic Mass844.47462045
Topological Polar Surface Area198 Ų
Heavy Atom Count60
Formal Charge0
Complexity1530
Isotope Atom Count0
Defined Atom Stereocenter Count13
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes