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O-Acetyl Silodosin

CAT: 0572-TRC-A187970-100MGSize: 100 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-A187970-100MGSize:100 mg
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CAS Number
160970-86-5
Synonyms
(R)-1-[3-(Acetyloxy)propyl]-2,3-dihydro-5-[2-[[2-[2-(2,2,2-trifluoroethoxy)phenoxy]ethyl]amino]propyl]-1H-Indole-7-carboxamide
Hazard Statement
No Data Available
Smiles
NC(C1=C2C(CCN2CCCOC(C)=O)=CC(C[C@@H](C)NCCOC3=C(OCC(F)(F)F)C=CC=C3)=C1)=O
Molecular Formula
C27H34F3N3O5
Molecular Weight
537.57
InChI
InChI=1S/C27H34F3N3O5/c1-18(32-9-13-37-23-6-3-4-7-24(23)38-17-27(28,29)30)14-20-15-21-8-11-33(10-5-12-36-19(2)34)25(21)22(16-20)26(31)35/h3-4,6-7,15-16,18,32H,5,8-14,17H2,1-2H3,(H2,31,35)
Additionnal Information
IUPAC name: (R)-3-(7-carbamoyl-5-(2-((2-(2-(2,2,2-trifluoroethoxy)phenoxy)ethyl)amino)propyl)indolin-1-yl)propyl acetate
Shipping Conditions
Room Temperature

Chemical Information

O-Acetyl Silodosin
CAS Number160970-86-5
PubChem CID18658841
IUPAC Name3-[7-carbamoyl-5-[(2R)-2-[2-[2-(2,2,2-trifluoroethoxy)phenoxy]ethylamino]propyl]-2,3-dihydroindol-1-yl]propyl acetate
Molecular FormulaC27H34F3N3O5
Molecular Weight537.6
XLogP4.2
Topological Polar Surface Area103
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count10
Rotatable Bond Count15
Heavy Atom Count38
Formal Charge0
Complexity756
SMILES
C[C@H](CC1=CC2=C(C(=C1)C(=O)N)N(CC2)CCCOC(=O)C)NCCOC3=CC=CC=C3OCC(F)(F)F
InChI
InChI=1S/C27H34F3N3O5/c1-18(32-9-13-37-23-6-3-4-7-24(23)38-17-27(28,29)30)14-20-15-21-8-11-33(10-5-12-36-19(2)34)25(21)22(16-20)26(31)35/h3-4,6-7,15-16,18,32H,5,8-14,17H2,1-2H3,(H2,31,35)/t18-/m1/s1
InChIKey
IWICOMVSJHYADK-GOSISDBHSA-N
Chemical Structure
2D Structure
2D structure of O-Acetyl Silodosin
CAS: 160970-86-5
CID: 18658841
Formula: C27H34F3N3O5
MW: 537.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight537.6
XLogP34.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count10
Rotatable Bond Count15
Exact Mass537.24505568
Monoisotopic Mass537.24505568
Topological Polar Surface Area103 Ų
Heavy Atom Count38
Formal Charge0
Complexity756
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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