Indian Drugs And Chemicals

CAS 459868-73-6

Chemistry, 1 End Use API, 23 Related Intermediates

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Also known as: 459868-73-6, 5-[(2r)-2-aminopropyl]-2,3-dihydro-1-[3-(phenylmethoxy)propyl]-1h-indole-7-carbonitrile, 5-[(2r)-2-aminopropyl]-1-(3-phenylmethoxypropyl)-2,3-dihydroindole-7-carbonitrile, 5-((2r)-2-aminopropyl)-2,3-dihydro-1-(3-(phenylmethoxy)propyl)-1h-indole-7-carbonitrile, (r)-5-(2-aminopropyl)-1-(3-benzyloxypropyl)indoline-7-carbonitrile, Schembl12247877

Molecular Formula

C₂₂H₂₇N₃O

Molecular Weight

349.5 g/mol

InChI Key

XYFDLYCEXANTHE-QGZVFWFLSA-N

1 2D Structure

CAS 459868-73-6

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

5-[(2R)-2-aminopropyl]-1-(3-phenylmethoxypropyl)-2,3-dihydroindole-7-carbonitrile

2.1.2 InChI

InChI=1S/C22H27N3O/c1-17(24)12-19-13-20-8-10-25(22(20)21(14-19)15-23)9-5-11-26-16-18-6-3-2-4-7-18/h2-4,6-7,13-14,17H,5,8-12,16,24H2,1H3/t17-/m1/s1

2.1.3 InChI Key

XYFDLYCEXANTHE-QGZVFWFLSA-N

2.1.4 Canonical SMILES

CC(CC1=CC2=C(C(=C1)C#N)N(CC2)CCCOCC3=CC=CC=C3)N

2.1.5 Isomeric SMILES

C[C@H](CC1=CC2=C(C(=C1)C#N)N(CC2)CCCOCC3=CC=CC=C3)N

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 459868-73-6

2. 5-[(2r)-2-aminopropyl]-2,3-dihydro-1-[3-(phenylmethoxy)propyl]-1h-indole-7-carbonitrile

3. 5-[(2r)-2-aminopropyl]-1-(3-phenylmethoxypropyl)-2,3-dihydroindole-7-carbonitrile

4. 5-((2r)-2-aminopropyl)-2,3-dihydro-1-(3-(phenylmethoxy)propyl)-1h-indole-7-carbonitrile

5. (r)-5-(2-aminopropyl)-1-(3-benzyloxypropyl)indoline-7-carbonitrile

6. Schembl12247877

7. Dtxsid50432615

8. Zinc34021631

9. Akos016007588

10. Ac-23951

11. 868a736

12. (r )-5-(2-aminopropyl)-1-(3-benzyloxypropyl) Indoline-7-carbonitrile

13. (r)-5-(2-aminopropyl)-1-(3-benzyloxypropyl) Indoline-7-carbonitrile

14. 5-[(2r)-2-aminopropyl]-1-[3-(benzyloxy)propyl]-7-indolinecarbonitrile

15. 5-[(2r)-2-aminopropyl]-1-[3-(benzyloxy)propyl]-2,3-dihydro-1h-indole-7-carbonitrile

2.3 Create Date

2006-10-25

3 Chemical and Physical Properties

Molecular Formula	C₂₂H₂₇N₃O
Molecular Weight	349.5 g/mol
XLogP3	3.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	8
Exact Mass	349.215412493 g/mol
Monoisotopic Mass	349.215412493 g/mol
Topological Polar Surface Area	62.3 Å²
Heavy Atom Count	26
Formal Charge	0
Complexity	467
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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CAS Number

160969-03-9

End Use API

Silodosin

About the Company

Indian Drugs & Chemicals has a wealth of knowledge & expertise that’s incomparable. We utilize this exp...

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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