Lewens Labs

BJOFTYXQHZTKMG-GOSISDBHSA-N

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

BJOFTYXQHZTKMG-GOSISDBHSA-N

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

Lewens Labs finds its roots in 4 years of engineering during which we saw a dream to carve out a niche fo...

Lewens Labs finds its roots in 4 years of engineering during which we saw a dream to carve out a niche for ourselves in Pharmaceutical Industry. As a part of the final year project, We worked on cost reduction of “Aceclofenac” which fetched us four national awards including one from Consultancy Development Center, Government of India. At Lewens, We aim to develop and provide quality,cost effective and sustainable solutions to our Customers by empowering people to think beyond the traditional norms of Chemistry and Engineering to come up with different and innovative solutions to the problems.

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