Restanza

CAT: 0926-FIA11048-02Size: 10 mgDry Ice: NoHazardous: No

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CAT#:0926-FIA11048-02Size:10 mg

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24/48H Stock Items & 2 to 6 Weeks non Stock Items.

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CAS Number

205110-48-1

MDL Number

MFCD08458273

Smiles

CCC1C2 (C (C (C (=O) C (CC (C (C (C (=O) C (C (=O) O1) C) C) OC3C (C (CC (O3) C) N (C) C) O) (C) OCC=CC4=CC5=CC=CC=C5N=C4) C) C) NC (=O) O2) C

Molecular Formula

C42H59N3O10

Molecular Weight

765.9 g/mol

Controlled

Chemical Information

Cethromycin

Cethromycin is a 3-keto (ketolide) derivative of erythromycin A with an 11,12-carbamate group and an O-6-linked aromatic ring system. Cethromycin represents a joint development effort by Abbott Laboratories, Taisho Pharmaceuticals, and Advanced Life Sciences, intended to be marketed under the trade name Restanza for the treatment of community-acquired pneumonia. However, after completing phase III clinical trials, it was deemed safe but not sufficiently efficacious by the FDA. Since this time, cethromycin has received FDA orphan drug designations for the prophylactic treatment of anthrax inhalation, plague due to Yersinia pestis, and tularemia due to Francisella tularensis. It has also been investigated, by itself or together with [zoliflodacin], for the treatment of gonorrhea, and was recently suggested as a possible treatment for liver-stage Plasmodium sporozoite infection.

CAS Number	205110-48-1
PubChem CID	156417
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-1,5,7,9,11,13-hexamethyl-9-(3-quinolin-3-ylprop-2-enoxy)-3,17-dioxa-15-azabicyclo[12.3.0]heptadecane-4,6,12,16-tetrone
Molecular Formula	C42H59N3O10
Molecular Weight	765.9
XLogP	5.4
Topological Polar Surface Area	163
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	12
Rotatable Bond Count	8
Heavy Atom Count	55
Formal Charge	0
Complexity	1410

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)OCC=CC4=CC5=CC=CC=C5N=C4)C)C)NC(=O)O2)C

InChI

InChI=1S/C42H59N3O10/c1-11-32-42(8)36(44-40(50)55-42)25(4)33(46)23(2)21-41(7,51-18-14-15-28-20-29-16-12-13-17-30(29)43-22-28)37(26(5)34(47)27(6)38(49)53-32)54-39-35(48)31(45(9)10)19-24(3)52-39/h12-17,20,22-27,31-32,35-37,39,48H,11,18-19,21H2,1-10H3,(H,44,50)/t23-,24-,25+,26+,27-,31+,32-,35-,36-,37-,39+,41-,42-/m1/s1

InChIKey

PENDGIOBPJLVBT-AMXFZXBBSA-N

Chemical Structure

2D Structure

CAS: 205110-48-1

CID: 156417

Formula: C42H59N3O10

MW: 765.9

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	765.9
XLogP3	5.4
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	12
Rotatable Bond Count	8
Exact Mass	765.42004509
Monoisotopic Mass	765.42004509
Topological Polar Surface Area	163 Å²
Heavy Atom Count	55
Formal Charge	0
Complexity	1410
Isotope Atom Count	0
Defined Atom Stereocenter Count	13
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	1
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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Chemical Information

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