Telithromycin (Ketek) 10mg

CAT: 0628-A11664-10Size: 10 mgDry Ice: NoHazardous: No

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CAT#:0628-A11664-10Size:10 mg

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CAS Number

191114-48-4

Chemical Information

Telithromycin

Telithromycin is an amino sugar.

CAS Number	191114-48-4
PubChem CID	3002190
IUPAC Name	(1S,2R,5R,7R,8R,9R,11R,13R,14R)-8-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-2-ethyl-9-methoxy-1,5,7,9,11,13-hexamethyl-15-[4-(4-pyridin-3-ylimidazol-1-yl)butyl]-3,17-dioxa-15-azabicyclo[12.3.0]heptadecane-4,6,12,16-tetrone
Molecular Formula	C43H65N5O10
Molecular Weight	812.0
XLogP	4.2
Topological Polar Surface Area	172
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	13
Rotatable Bond Count	11
Heavy Atom Count	58
Formal Charge	0
Complexity	1440

SMILES

CC[C@@H]1[C@@]2([C@@H]([C@H](C(=O)[C@@H](C[C@@]([C@@H]([C@H](C(=O)[C@H](C(=O)O1)C)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=C4)C5=CN=CC=C5)C

InChI

InChI=1S/C43H65N5O10/c1-12-33-43(8)37(48(41(53)58-43)19-14-13-18-47-23-31(45-24-47)30-16-15-17-44-22-30)27(4)34(49)25(2)21-42(7,54-11)38(28(5)35(50)29(6)39(52)56-33)57-40-36(51)32(46(9)10)20-26(3)55-40/h15-17,22-29,32-33,36-38,40,51H,12-14,18-21H2,1-11H3/t25-,26-,27+,28+,29-,32+,33-,36-,37-,38-,40+,42-,43-/m1/s1

InChIKey

LJVAJPDWBABPEJ-PNUFFHFMSA-N

Chemical Structure

2D Structure

CAS: 191114-48-4

CID: 3002190

Formula: C43H65N5O10

MW: 812.0

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	812.0
XLogP3	4.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	13
Rotatable Bond Count	11
Exact Mass	811.47314329
Monoisotopic Mass	811.47314329
Topological Polar Surface Area	172 Å²
Heavy Atom Count	58
Formal Charge	0
Complexity	1440
Isotope Atom Count	0
Defined Atom Stereocenter Count	13
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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Telithromycin (Ketek) 10mg

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