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Benzyl Silodosin

CAT: 0572-TRC-B458605-100MGSize: 100 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-B458605-100MGSize:100 mg
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CAS Number
175870-40-3
Hazard Statement
No Data Available
Smiles
C[C@H](Cc1cc2CCN(CCCOCc3ccccc3)c2c(c1)C(=O)N)NCCOc4ccccc4OCC(F)(F)F
Molecular Formula
C32 H38 F3 N3 O4
Molecular Weight
585.657
InChI
InChI=1S/C32H38F3N3O4/c1-23(37-13-17-41-28-10-5-6-11-29(28)42-22-32(33,34)35)18-25-19-26-12-15-38(30(26)27(20-25)31(36)39)14-7-16-40-21-24-8-3-2-4-9-24/h2-6,8-11,19-20,23,37H,7,12-18,21-22H2,1H3,(H2,36,39)/t23-/m1/s1
Additionnal Information
IUPAC name: 1-(3-phenylmethoxypropyl)-5-[(2R)-2-[2-[2-(2,2,2-trifluoroethoxy)phenoxy]ethylamino]propyl]-2,3-dihydroindole-7-carboxamide
Shipping Conditions
Room Temperature

Chemical Information

Benzyl Silodosin
CAS Number175870-40-3
PubChem CID69083125
IUPAC Name1-(3-phenylmethoxypropyl)-5-[(2R)-2-[2-[2-(2,2,2-trifluoroethoxy)phenoxy]ethylamino]propyl]-2,3-dihydroindole-7-carboxamide
Molecular FormulaC32H38F3N3O4
Molecular Weight585.7
XLogP5.7
Topological Polar Surface Area86.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count9
Rotatable Bond Count16
Heavy Atom Count42
Formal Charge0
Complexity797
SMILES
C[C@H](CC1=CC2=C(C(=C1)C(=O)N)N(CC2)CCCOCC3=CC=CC=C3)NCCOC4=CC=CC=C4OCC(F)(F)F
InChI
InChI=1S/C32H38F3N3O4/c1-23(37-13-17-41-28-10-5-6-11-29(28)42-22-32(33,34)35)18-25-19-26-12-15-38(30(26)27(20-25)31(36)39)14-7-16-40-21-24-8-3-2-4-9-24/h2-6,8-11,19-20,23,37H,7,12-18,21-22H2,1H3,(H2,36,39)/t23-/m1/s1
InChIKey
SWXREGRXRIZTPZ-HSZRJFAPSA-N
Chemical Structure
2D Structure
2D structure of Benzyl Silodosin
CAS: 175870-40-3
CID: 69083125
Formula: C32H38F3N3O4
MW: 585.7
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight585.7
XLogP35.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count9
Rotatable Bond Count16
Exact Mass585.28144119
Monoisotopic Mass585.28144119
Topological Polar Surface Area86.1 Ų
Heavy Atom Count42
Formal Charge0
Complexity797
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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