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N-Nitroso Tamsulosin Impurity

CAT: 0572-TRC-N390330-100MGSize: 100 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-N390330-100MGSize:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2892260-31-8
Hazard Statement
Harmful if swallowed
Purity
>95% (HPLC)
Smiles
S(N)(=O)(=O)C1=C(OC)C=CC(C[C@H](N(CCOC2=C(OCC)C=CC=C2)N=O)C)=C1
Molecular Formula
C20H27N3O6S
Molecular Weight
437.51
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

N-nitroso-tamsulosin
CAS Number2892260-31-8
PubChem CID168475433
IUPAC Name5-[(2R)-2-[2-(2-ethoxyphenoxy)ethyl-nitrosoamino]propyl]-2-methoxybenzenesulfonamide
Molecular FormulaC20H27N3O6S
Molecular Weight437.5
XLogP3.1
Topological Polar Surface Area129
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count9
Rotatable Bond Count11
Heavy Atom Count30
Formal Charge0
Complexity614
SMILES
CCOC1=CC=CC=C1OCCN([C@H](C)CC2=CC(=C(C=C2)OC)S(=O)(=O)N)N=O
InChI
InChI=1S/C20H27N3O6S/c1-4-28-17-7-5-6-8-18(17)29-12-11-23(22-24)15(2)13-16-9-10-19(27-3)20(14-16)30(21,25)26/h5-10,14-15H,4,11-13H2,1-3H3,(H2,21,25,26)/t15-/m1/s1
InChIKey
LFRHEOVVLUGWRH-OAHLLOKOSA-N
Chemical Structure
2D Structure
2D structure of N-nitroso-tamsulosin
CAS: 2892260-31-8
CID: 168475433
Formula: C20H27N3O6S
MW: 437.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight437.5
XLogP33.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count9
Rotatable Bond Count11
Exact Mass437.16205676
Monoisotopic Mass437.16205676
Topological Polar Surface Area129 Ų
Heavy Atom Count30
Formal Charge0
Complexity614
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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