Dalian Richon Chem

CAS 885340-13-6

Chemistry, 2 End Use API, 22 Related Intermediates

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Also known as: 885340-13-6, 1-(3-hydroxypropyl)-5-[(2r)-2-[2-[2-(2,2,2-trifluoroethoxy)phenoxy]ethylamino]propyl]-2,3-dihydroindole-7-carbonitrile, Schembl526322, 1-(3-hydroxypropyl)-5-[(2r)-2-({2-[2-(2,2,2-trifluoroethoxy)phenoxy]-ethyl}amino)propyl]-2,3-dihydro-1h-indole-7-carbonitrile, 1-(3-hydroxypropyl)-5-[(2r)-2-({2-[2-(2,2,2-trifluoroethoxy)phenoxy]ethyl}amino)propyl]-2,3-dihydro-1h-indole-7-carbonitrile, 1-(3-hydroxypropyl)-5-[(2r)-2-[[2-[2-(2,2,2-trifluoroethoxy)phenoxy]ethyl]amino]propyl]indoline-7-carbonitrile

Molecular Formula

C₂₅H₃₀F₃N₃O₃

Molecular Weight

477.5 g/mol

InChI Key

BJOFTYXQHZTKMG-GOSISDBHSA-N

1 2D Structure

CAS 885340-13-6

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

1-(3-hydroxypropyl)-5-[(2R)-2-[2-[2-(2,2,2-trifluoroethoxy)phenoxy]ethylamino]propyl]-2,3-dihydroindole-7-carbonitrile

2.1.2 InChI

InChI=1S/C25H30F3N3O3/c1-18(30-8-12-33-22-5-2-3-6-23(22)34-17-25(26,27)28)13-19-14-20-7-10-31(9-4-11-32)24(20)21(15-19)16-29/h2-3,5-6,14-15,18,30,32H,4,7-13,17H2,1H3/t18-/m1/s1

2.1.3 InChI Key

BJOFTYXQHZTKMG-GOSISDBHSA-N

2.1.4 Canonical SMILES

CC(CC1=CC2=C(C(=C1)C#N)N(CC2)CCCO)NCCOC3=CC=CC=C3OCC(F)(F)F

2.1.5 Isomeric SMILES

C[C@H](CC1=CC2=C(C(=C1)C#N)N(CC2)CCCO)NCCOC3=CC=CC=C3OCC(F)(F)F

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 885340-13-6

2. 1-(3-hydroxypropyl)-5-[(2r)-2-[2-[2-(2,2,2-trifluoroethoxy)phenoxy]ethylamino]propyl]-2,3-dihydroindole-7-carbonitrile

3. Schembl526322

4. 1-(3-hydroxypropyl)-5-[(2r)-2-({2-[2-(2,2,2-trifluoroethoxy)phenoxy]-ethyl}amino)propyl]-2,3-dihydro-1h-indole-7-carbonitrile

5. 1-(3-hydroxypropyl)-5-[(2r)-2-({2-[2-(2,2,2-trifluoroethoxy)phenoxy]ethyl}amino)propyl]-2,3-dihydro-1h-indole-7-carbonitrile

6. 1-(3-hydroxypropyl)-5-[(2r)-2-[[2-[2-(2,2,2-trifluoroethoxy)phenoxy]ethyl]amino]propyl]indoline-7-carbonitrile

2.3 Create Date

2006-10-26

3 Chemical and Physical Properties

Molecular Formula	C₂₅H₃₀F₃N₃O₃
Molecular Weight	477.5 g/mol
XLogP3	4.5
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	9
Rotatable Bond Count	12
Exact Mass	477.22392631 g/mol
Monoisotopic Mass	477.22392631 g/mol
Topological Polar Surface Area	77.8 Å²
Heavy Atom Count	34
Formal Charge	0
Complexity	656
Isotope Atom Count	0
Defined Atom Stereocenter Count	1
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1

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2-[2-(2,2,2-Trifluoroethoxy)phenoxy]ethyl methanesulfon...

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CAS Number

160969-03-9

End Use API

Silodosin

About the Company

Dalian Richon Chem. Co., Ltd is a high-tech enterprise professionally involved in research and developmen...

Dalian Richon Chem. Co., Ltd is a high-tech enterprise professionally involved in research and development, manufacturing process and sales service of pharmaceutical intermediates and APIs. It has passed ISO9001:2000 international quality management system certificate. Its business scope includes development and manufacturing of APIs and pharmaceutical intermediates, contract development and manufacturing for domestic and international pharmaceutical companies, technical consultation, service and transfer.

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