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Silodosin

CAT: 0127-BUP10428-02Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0127-BUP10428-02Size:10 mg
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CAS Number
160970-54-7
Synonyms
KAD 3213, KMD 3213
Purity
=98%
Smiles
C(CCO)N1C=2C(=CC(C[C@H](NCCOC3=C(OCC(F)(F)F)C=CC=C3)C)=CC2C(N)=O)CC1

Chemical Information

Silodosin

Silodosin is an indolecarboxamide.

CAS Number160970-54-7
PubChem CID5312125
IUPAC Name1-(3-hydroxypropyl)-5-[(2R)-2-[2-[2-(2,2,2-trifluoroethoxy)phenoxy]ethylamino]propyl]-2,3-dihydroindole-7-carboxamide
Molecular FormulaC25H32F3N3O4
Molecular Weight495.5
XLogP3.6
Topological Polar Surface Area97.1
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count9
Rotatable Bond Count13
Heavy Atom Count35
Formal Charge0
Complexity654
SMILES
C[C@H](CC1=CC2=C(C(=C1)C(=O)N)N(CC2)CCCO)NCCOC3=CC=CC=C3OCC(F)(F)F
InChI
InChI=1S/C25H32F3N3O4/c1-17(30-8-12-34-21-5-2-3-6-22(21)35-16-25(26,27)28)13-18-14-19-7-10-31(9-4-11-32)23(19)20(15-18)24(29)33/h2-3,5-6,14-15,17,30,32H,4,7-13,16H2,1H3,(H2,29,33)/t17-/m1/s1
InChIKey
PNCPYILNMDWPEY-QGZVFWFLSA-N
Chemical Structure
2D Structure
2D structure of Silodosin
CAS: 160970-54-7
CID: 5312125
Formula: C25H32F3N3O4
MW: 495.5
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight495.5
XLogP33.6
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count9
Rotatable Bond Count13
Exact Mass495.23449100
Monoisotopic Mass495.23449100
Topological Polar Surface Area97.1 Ų
Heavy Atom Count35
Formal Charge0
Complexity654
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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