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De-O-ethoxy Tamsulosin

CAT: 0572-TRC-D228495-2.5GSize: 2.5 gDry Ice: NoHazardous: No
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CAT#:0572-TRC-D228495-2.5GSize:2.5 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2244986-82-9
Synonyms
(R)-2-Methoxy-5-(2-((2-phenoxyethyl)amino)propyl)benzenesulfonamide
Hazard Statement
Harmful if swallowed.
Smiles
O=S(C1=CC(C[C@H](NCCOC2=CC=CC=C2)C)=CC=C1OC)(N)=O
Molecular Formula
C18H24N2O4S
Molecular Weight
364.46
InChI
InChI=1S/C18H24N2O4S/c1-14(20-10-11-24-16-6-4-3-5-7-16)12-15-8-9-17(23-2)18(13-15)25(19,21)22/h3-9,13-14,20H,10-12H2,1-2H3,(H2,19,21,22)/t14-/m1/s1
Additionnal Information
IUPAC name: (R)-2-methoxy-5-(2-((2-phenoxyethyl)amino)propyl)benzenesulfonamide
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

De-O-ethoxy Tamsulosin
CAS Number2244986-82-9
PubChem CID96869335
IUPAC Name2-methoxy-5-[(2R)-2-(2-phenoxyethylamino)propyl]benzenesulfonamide
Molecular FormulaC18H24N2O4S
Molecular Weight364.5
XLogP2.4
Topological Polar Surface Area99
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count9
Heavy Atom Count25
Formal Charge0
Complexity474
SMILES
C[C@H](CC1=CC(=C(C=C1)OC)S(=O)(=O)N)NCCOC2=CC=CC=C2
InChI
InChI=1S/C18H24N2O4S/c1-14(20-10-11-24-16-6-4-3-5-7-16)12-15-8-9-17(23-2)18(13-15)25(19,21)22/h3-9,13-14,20H,10-12H2,1-2H3,(H2,19,21,22)/t14-/m1/s1
InChIKey
UERLZSSAWHCYEK-CQSZACIVSA-N
Chemical Structure
2D Structure
2D structure of De-O-ethoxy Tamsulosin
CAS: 2244986-82-9
CID: 96869335
Formula: C18H24N2O4S
MW: 364.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight364.5
XLogP32.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count9
Exact Mass364.14567842
Monoisotopic Mass364.14567842
Topological Polar Surface Area99 Ų
Heavy Atom Count25
Formal Charge0
Complexity474
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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