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CAS 459868-73-6 manufacturers and suppliers on PharmaCompass

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CAS 459868-73-6
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 Weight 349.5 g/mol
Molecular Formula C22H27N3O
XLogP33.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count8
Exact Mass349.215412493 g/mol
Monoisotopic Mass349.215412493 g/mol
Topological Polar Surface Area62.3 Ų
Heavy Atom Count26
Formal Charge0
Complexity467
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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Digital Content Digital Content
URL Supplier Web Content
160969-03-9
Silodosin
Jiangsu Yutian Pharmaceutical Co., Ltd. is located in Dapu Pharmaceutical Zone of Lianyungang City in Jia...
Jiangsu Yutian Pharmaceutical Co., Ltd. is located in Dapu Pharmaceutical Zone of Lianyungang City in Jiangsu Province. It is a new and high-tech enterprise engaged in research and production of bulk pharmaceutical chemicals, medical high-grade intermediate and other fine chemicals. We make efforts to provide wide customers with superior quality product. Covering an area of 66400 square meters and a construction area of 37600 square meters, our company has 8 synthesis plants, 1 GMP and FDA standard cleaning shop, modern and advanced production equipment, leading grade laboratory and excellent quality control center. In addition, there is outstanding technology development, production and management talents. Due to high quality and superior service, our products have been exported to Japan, South Korea, India and Europe. We sincerely welcome wide customers to visit us and pay guidance on our work! We would like to create brilliant future hand in hand with you!
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239463-85-5
Silodosin
Jiangsu Yutian Pharmaceutical Co., Ltd. is located in Dapu Pharmaceutical Zone of Lianyungang City in Jia...
Jiangsu Yutian Pharmaceutical Co., Ltd. is located in Dapu Pharmaceutical Zone of Lianyungang City in Jiangsu Province. It is a new and high-tech enterprise engaged in research and production of bulk pharmaceutical chemicals, medical high-grade intermediate and other fine chemicals. We make efforts to provide wide customers with superior quality product. Covering an area of 66400 square meters and a construction area of 37600 square meters, our company has 8 synthesis plants, 1 GMP and FDA standard cleaning shop, modern and advanced production equipment, leading grade laboratory and excellent quality control center. In addition, there is outstanding technology development, production and management talents. Due to high quality and superior service, our products have been exported to Japan, South Korea, India and Europe. We sincerely welcome wide customers to visit us and pay guidance on our work! We would like to create brilliant future hand in hand with you!
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