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CAS 885340-13-6 manufacturers and suppliers on PharmaCompass

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CAS 885340-13-6
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 Weight 477.5 g/mol
Molecular Formula C25H30F3N3O3
XLogP34.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count9
Rotatable Bond Count12
Exact Mass477.22392631 g/mol
Monoisotopic Mass477.22392631 g/mol
Topological Polar Surface Area77.8 Ų
Heavy Atom Count34
Formal Charge0
Complexity656
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1
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Indian Drugs & Chemicals has a wealth of knowledge & expertise that’s incomparable. We utilize this experience to provide both companies & individuals with immersible quality products. In addition, we ensure that we stay ahead of the industry curve by using the latest technologies. Rest assured that no matter what you need, you can rely on us to provide the absolute best. Mr. Manish Jatia, the founder has been in the industry for over 40 years who has build companies, products catering to the world market. He has been a foundation for Unique Labs, Hermes Labs & has partnerships with Omshri Labs to cater to the market of Human & Vet. API.
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