Products for Research Use Only
RegisterLogin

Roxithromycin impurity E

CAT: 0926-IR106453Size: 100 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0926-IR106453Size:100 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
CAS Number
1460313-66-9
Synonyms
(9E) -9- [O- [ (2- Methoxyethoxy) methyl] oxime] -3''- O- demethyl- erythromycin
Smiles
CC[C@H]1OC (=O) [C@H] (C) [C@@H] (O[C@H]2C[C@] (C) (O) [C@@H] (O) [C@@H] (C) O2) [C@H] (C) [C@@H] (O[C@@H]3O[C@@H] (C) C[C@H] ([C@@H]3O) N (C) C) [C@@] (C) (O) C[C@@H] (C) \C (=N/OCOCCOC) \[C@H] (C) [C@@H] (O) [C@]1 (C) O
Molecular Formula
C40H74N2O15
Molecular Weight
823.02 g/mol
Controlled
No

Chemical Information

Roxithromycin EP Impurity E
CAS Number1460313-66-9
PubChem CID172943746
IUPAC Name(3R,4S,5S,6R,7R,9R,10E,11S,12R,13S,14R)-4-[(2R,4R,5S,6S)-4,5-dihydroxy-4,6-dimethyloxan-2-yl]oxy-6-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-14-ethyl-7,12,13-trihydroxy-10-(2-methoxyethoxymethoxyimino)-3,5,7,9,11,13-hexamethyl-oxacyclotetradecan-2-one
Molecular FormulaC40H74N2O15
Molecular Weight823.0
XLogP2.5
Topological Polar Surface Area228
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count17
Rotatable Bond Count12
Heavy Atom Count57
Formal Charge0
Complexity1300
SMILES
CC[C@@H]1[C@@]([C@@H]([C@H](/C(=N/OCOCCOC)/[C@@H](C[C@@]([C@@H]([C@H]([C@@H]([C@H](C(=O)O1)C)O[C@H]2C[C@@]([C@H]([C@@H](O2)C)O)(C)O)C)O[C@H]3[C@@H]([C@H](C[C@H](O3)C)N(C)C)O)(C)O)C)C)O)(C)O
InChI
InChI=1S/C40H74N2O15/c1-14-28-40(10,49)33(44)23(4)30(41-52-20-51-16-15-50-13)21(2)18-39(9,48)35(57-37-31(43)27(42(11)12)17-22(3)53-37)24(5)32(25(6)36(46)55-28)56-29-19-38(8,47)34(45)26(7)54-29/h21-29,31-35,37,43-45,47-49H,14-20H2,1-13H3/b41-30+/t21-,22-,23+,24+,25-,26+,27+,28-,29+,31-,32+,33-,34+,35-,37+,38-,39-,40-/m1/s1
InChIKey
HDTGNWORNXOTCR-LHOBRSKNSA-N
Chemical Structure
2D Structure
2D structure of Roxithromycin EP Impurity E
CAS: 1460313-66-9
CID: 172943746
Formula: C40H74N2O15
MW: 823.0
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight823.0
XLogP32.5
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count17
Rotatable Bond Count12
Exact Mass822.50891966
Monoisotopic Mass822.50891966
Topological Polar Surface Area228 Ų
Heavy Atom Count57
Formal Charge0
Complexity1300
Isotope Atom Count0
Defined Atom Stereocenter Count18
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Related Products

CatalogName
IR106455-01Roxithromycin impurity I
IR106454-01Roxithromycin impurity H
FR166227-01Roxithromycin EP Impurity C
AR27766-01Roxithromycin
IR106421-01(9Z) -Roxithromycin
FR182845-01Roxithromycin-d7
ID106420-01Decladinose roxithromycin
AD21014-01N-Demethyl roxithromycin
IO159550-01Oxaliplatin Impurity E
IN167083-01Naltrexone impurity E

Alternative Products

CatalogName
TRC-D226800-25MGDecladinose Roxithromycin (Roxithromycin Impurity B)
RM-R242012-01Roxithromycin Impurity 12
RM-R242024-01Roxithromycin Impurity 24
RM-R242017-01Roxithromycin Impurity 17
RM-R242019-01Roxithromycin Impurity 19
AR-R11635-01Roxithromycin Impurity 3
AR-R11639-01Roxithromycin Impurity 8
AR-R11634-01Roxithromycin Impurity 2
AR-R11638-01Roxithromycin Impurity 7
AR-R11788-01Roxithromycin Impurity 6

Popular Products