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N-nitroso-desmethyl-Spinosad factor a

CAT: 1459-CS-O-52817Size: 1 EachDry Ice: NoHazardous: No
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Description
N-nitroso-desmethyl-Spinosad factor a is listed under Nitrosamine and is intended for analytical research, quality control and pharmaceutical reference standard applications. It is associated with Spinosad. The product is supplied by Clearsynth under CAT No. CS-O-52817. Clearsynth provides this compound for research and analytical use, with product information including CAS number, molecular formula, molecular weight and product enquiry details.
Overview
Useful research chemical for a range of applications.
CAS Number
252575-85-2
Synonyms
N-nitroso-desmethyl-Spinosad factor a
Molecular Formula
C 40 H 62 N 2 O 11
Molecular Weight
746.94
Additionnal Information
N-nitroso-desmethyl-Spinosad factor a is supplied with detailed characterization data compliant with regulatory guideline. N-nitroso-desmethyl-Spinosad factor a can be used for analytical method development, method validation (AMV), Quality Control (QC) application for Abbreviated New Drug Application (ANDA), or during commercial production of Spinosad.
Storage Conditions
Refer MSDS for complete information.
Applications Notes
Useful research chemical for a range of applications.
HSN Code
38229010
Hazard Compound
Refer MSDS for complete information.

Chemical Information

N-Nitroso Desmethyl-spinosyn Factor A
CAS Number252575-85-2
PubChem CID172990647
IUPAC NameN-[(2R,3S,6R)-6-[[(7R,14R,15S,19S)-19-ethyl-14-methyl-13,21-dioxo-7-[(2S,3S,4S,5R,6R)-3,4,5-trimethoxy-6-methyloxan-2-yl]oxy-20-oxatetracyclo[10.10.0.02,10.05,9]docosa-3,11-dien-15-yl]oxy]-2-methyloxan-3-yl]-N-methylnitrous amide
Molecular FormulaC40H62N2O11
Molecular Weight746.9
XLogP4.9
Topological Polar Surface Area141
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count13
Rotatable Bond Count9
Heavy Atom Count53
Formal Charge0
Complexity1340
SMILES
CC[C@H]1CCC[C@@H]([C@H](C(=O)C2=CC3C4C[C@@H](CC4C=CC3C2CC(=O)O1)O[C@@H]5[C@H]([C@H]([C@@H]([C@H](O5)C)OC)OC)OC)C)O[C@H]6CC[C@@H]([C@H](O6)C)N(C)N=O
InChI
InChI=1S/C40H62N2O11/c1-9-25-11-10-12-33(53-35-16-15-32(22(3)49-35)42(5)41-45)21(2)36(44)31-19-29-27(30(31)20-34(43)51-25)14-13-24-17-26(18-28(24)29)52-40-39(48-8)38(47-7)37(46-6)23(4)50-40/h13-14,19,21-30,32-33,35,37-40H,9-12,15-18,20H2,1-8H3/t21-,22-,23-,24?,25+,26-,27?,28?,29?,30?,32+,33+,35+,37-,38+,39+,40-/m1/s1
InChIKey
CXWWBUUAKSHTSZ-HJFDBNLJSA-N
Chemical Structure
2D Structure
2D structure of N-Nitroso Desmethyl-spinosyn Factor A
CAS: 252575-85-2
CID: 172990647
Formula: C40H62N2O11
MW: 746.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight746.9
XLogP34.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count13
Rotatable Bond Count9
Exact Mass746.43536080
Monoisotopic Mass746.43536080
Topological Polar Surface Area141 Ų
Heavy Atom Count53
Formal Charge0
Complexity1340
Isotope Atom Count0
Defined Atom Stereocenter Count12
Undefined Atom Stereocenter Count5
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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