Keminntek Laboratories

CAS 239463-85-5

Chemistry, 8 End Use API, 16 Related Intermediates

Manufacturers/Suppliers

8 Suppliers

8 Suppliers

MARKET PLACE

3 Intermediates

3 Intermediates

Also known as: 239463-85-5, 5-[(2r)-2-aminopropyl]-1-[3-(benzoyloxy)propyl]-2,3-dihydro-1h-indole-7-carbonitrile (2r,3r)-2,3-dihydroxybutanedioate, 3-[5-[(2r)-2-aminopropyl]-7-cyano-2,3-dihydroindol-1-yl]propyl benzoate;(2r,3r)-2,3-dihydroxybutanedioic acid, 5-[(2r)-2-aminopropyl]-1-[3-(benzoyloxy)propyl]-2,3-dihydro-1h-indole-7-carbonitrile(2r,3r)-2,3-dihydroxybutanendioate, 5-[(2r)-2-aminopropyl]-1-[3-(benzoyloxy)propyl]-2,3-dihydro-1h-indole-7-carbonitrile (2r,3r)-2,3-dih, 5-[(2r)-2-aminopropyl]-1-[3-(benzoyloxy)propyl]-2,3-dihydro-7-carbonitrile-1h-indole(2r,3r)-2,3-dihydroxybutanedioat

Molecular Formula

C₂₆H₃₁N₃O₈

Molecular Weight

513.5 g/mol

InChI Key

KYUCVOVGODORNE-NUFNRNBZSA-N

1 2D Structure

CAS 239463-85-5

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

3-[5-[(2R)-2-aminopropyl]-7-cyano-2,3-dihydroindol-1-yl]propyl benzoate;(2R,3R)-2,3-dihydroxybutanedioic acid

2.1.2 InChI

InChI=1S/C22H25N3O2.C4H6O6/c1-16(24)12-17-13-19-8-10-25(21(19)20(14-17)15-23)9-5-11-27-22(26)18-6-3-2-4-7-18;5-1(3(7)8)2(6)4(9)10/h2-4,6-7,13-14,16H,5,8-12,24H2,1H3;1-2,5-6H,(H,7,8)(H,9,10)/t16-;1-,2-/m11/s1

2.1.3 InChI Key

KYUCVOVGODORNE-NUFNRNBZSA-N

2.1.4 Canonical SMILES

CC(CC1=CC2=C(C(=C1)C#N)N(CC2)CCCOC(=O)C3=CC=CC=C3)N.C(C(C(=O)O)O)(C(=O)O)O

2.1.5 Isomeric SMILES

C[C@H](CC1=CC2=C(C(=C1)C#N)N(CC2)CCCOC(=O)C3=CC=CC=C3)N.[C@@H]([C@H](C(=O)O)O)(C(=O)O)O

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 239463-85-5

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

3. 3-[5-[(2r)-2-aminopropyl]-7-cyano-2,3-dihydroindol-1-yl]propyl Benzoate;(2r,3r)-2,3-dihydroxybutanedioic Acid

4. 5-[(2r)-2-aminopropyl]-1-[3-(benzoyloxy)propyl]-2,3-dihydro-1h-indole-7-carbonitrile(2r,3r)-2,3-dihydroxybutanendioate

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

6. 5-[(2r)-2-aminopropyl]-1-[3-(benzoyloxy)propyl]-2,3-dihydro-7-carbonitrile-1h-indole(2r,3r)-2,3-dihydroxybutanedioat

7. (r)-3-(5-(2-aminopropyl)-7-cyanoindolin-1-yl)propyl-benzoate (2r,3r)-2,3-dihydroxysuccinate

8. Schembl6595413

9. Dtxsid00668240

10. Cs-m1430

11. Mfcd16038449

12. Akos015895766

13. 3-[5-[(2r)-2-aminopropyl]-7-cyano-2,3-dihydroindol-1-yl]propyl Benzoate,(2r,3r)-2,3-dihydroxybutanedioic Acid

14. Ds-17904

15. Am20090776

16. 463a855

17. A817002

18. J-516580

19. (r)-3-(5-(2-aminopropyl)-7-cyanoindolin-1-yl)propylbenzoate(2r,3r)-2,3-dihydroxysuccinate

20. (r)-3-[5-(2-aminopropyl)-7-cyano-2,3-dihydro-1h-indol-1-yl]propyl Benzoate L-tartrate

21. (2r,3r)-2,3-dihydroxybutanedioic Acid--3-{5-[(2r)-2-aminopropyl]-7-cyano-2,3-dihydro-1h-indol-1-yl}propyl Benzoate (1/1)

22. 1h-indole-7-carbonitrile, 5-[(2r)-2-aminopropyl]-1-[3-(benzoyloxy)propyl]-2,3-dihydro-, (2r,3r)-2,3-dihydroxybutanedioate (1:1)

23. 5-[(2r)-2-aminopropyl]-1-[3-(benzoyloxy)propyl]-2,3-dihydro-1h-indole-7-carbonitrile(2r,3r)-2,3-dihydroxybutanedioate

2.3 Create Date

2010-04-16

3 Chemical and Physical Properties

Molecular Formula	C₂₆H₃₁N₃O₈
Molecular Weight	513.5 g/mol
Hydrogen Bond Donor Count	5
Hydrogen Bond Acceptor Count	11
Rotatable Bond Count	11
Exact Mass	513.21111496 g/mol
Monoisotopic Mass	513.21111496 g/mol
Topological Polar Surface Area	194 Å²
Heavy Atom Count	37
Formal Charge	0
Complexity	671
Isotope Atom Count	0
Defined Atom Stereocenter Count	3
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	2

List of Suppliers

Full Screen View

Reset Filter

Ask Us

Upload your Marketing & Sales content on your company Virtual Booth, click HERE

Post an Enquiry

India

Virtual Booth

Digital Content

1-(3Hydroxypropyl)-5-[(2R)-2-({2-[2- (2,2,2trifluoroeth...

PDF Supplier PDF

URL Supplier Web Content

CAS Number

885340-13-6

End Use API

Silodosin

About the Company

Keminntek Laboratories is a Hyderabad (India) based Contract Research Organization in Pharmaceutical sect...

Keminntek Laboratories is a Hyderabad (India) based Contract Research Organization in Pharmaceutical sector in specific Pharmaceutical Intermediates, Speciality Chemicals, Impurities and Active Pharmaceutical Ingredients. Our vision is to build Keminntek Laboratories into a world class leading pharmaceutical service provider based on innovation while keeping health & prosperity in mind. Imperatively, we will continue our business with high standards of ethics in the interest of society and environment. We are committed towards improving people’s health through science and innovation.

ASK
US