Seqens is an integrated global leader in pharmaceutical solutions & specialty ingredients & provides custom-made solutions.

Virtual Booth

Contact Supplier

AbbVie CDMO has been working with global companies to develop, manufacture & scale biopharmaceutical products.

ACCESS ALL DATA
Browse all information
CHEMISTRY
Discover Molecule Insights

ACTIVE PHARMA INGREDIENTS

1 API Suppliers, 1 USDMF

1 API Suppliers
1 USDMF

Synopsis

ACTIVE PHARMA INGREDIENTS

API Suppliers

USDMF

CEP/COS

JDMF

EU WC

KDMF

NDC API

VMF

Listed Suppliers

API REF. PRICE (USD/KG)

$ 0

MARKET PLACE

API

FDF

0INTERMEDIATES

FINISHED DOSAGE FORMULATIONS

FDF Dossiers

FDA Orange Book

Europe

Canada

Australia

South Africa

Listed Dossiers

0 DRUGS IN DEVELOPMENT

DRUG PRODUCT COMPOSITIONS

REF. STANDARDS OR IMPURITIES

EDQM

USP

Others

PATENTS & EXCLUSIVITIES

US Patents

US Exclusivities

Health Canada Patents

DIGITAL CONTENT

Data Compilation #PharmaFlow

Stock Recap #PipelineProspector

Weekly News Recap #Phispers

News #PharmaBuzz

GLOBAL SALES INFORMATION

US Medicaid (USD)

Annual Reports (USD Million)

Finished Drug Prices

0RELATED EXCIPIENT COMPANIES

0EXCIPIENTS BY APPLICATIONS

Chemistry

Click the arrow to open the dropdown

Click the button for full data set

Also known as: Mcn5691, Mcn-5691, 99254-95-2, 6nz1chr0u7, Rwj-26240, Benzenepropanamine, n-(2-(3,4-dimethoxyphenyl)ethyl)-5-methoxy-n,alpha-dimethyl-2-(phenylethynyl)-

Molecular Formula

C₃₀H₃₅NO₃

Molecular Weight

457.6 g/mol

InChI Key

HQDXNTRZJRNPLD-UHFFFAOYSA-N

FDA UNII

6NZ1CHR0U7

1 2D Structure

Mcn-5691

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

N-[2-(3,4-dimethoxyphenyl)ethyl]-4-[5-methoxy-2-(2-phenylethynyl)phenyl]-N-methylbutan-2-amine

2.1.2 InChI

InChI=1S/C30H35NO3/c1-23(31(2)20-19-25-13-18-29(33-4)30(21-25)34-5)11-14-27-22-28(32-3)17-16-26(27)15-12-24-9-7-6-8-10-24/h6-10,13,16-18,21-23H,11,14,19-20H2,1-5H3

2.1.3 InChI Key

HQDXNTRZJRNPLD-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CC(CCC1=C(C=CC(=C1)OC)C#CC2=CC=CC=C2)N(C)CCC3=CC(=C(C=C3)OC)OC

2.2 Other Identifiers

2.2.1 UNII

6NZ1CHR0U7

2.3 Synonyms

2.3.1 MeSH Synonyms

1. Mcn 5691

2. Mcn-5691

3. N-(2-(3,4-dimethoxyphenyl)ethyl)-5-methoxy-n-dimethyl-2-(phenylethynyl)benzenepropanamine

2.3.2 Depositor-Supplied Synonyms

1. Mcn5691

2. Mcn-5691

3. 99254-95-2

4. 6nz1chr0u7

5. Rwj-26240

6. Benzenepropanamine, N-(2-(3,4-dimethoxyphenyl)ethyl)-5-methoxy-n,alpha-dimethyl-2-(phenylethynyl)-

7. Unii-6nz1chr0u7

8. N-[2-(3,4-dimethoxyphenyl)ethyl]-4-[5-methoxy-2-(phenylethynyl)phenyl]-n-methylbutan-2-amine

9. Mcn 5691

10. Chembl352255

11. Schembl9218599

12. Dtxsid40912815

13. Rwj26240

14. Hy-u00218

15. Rwj 26240

16. Cs-7359

17. A813779

18. N-(2-(3,4-dimethoxyphenyl)ethyl)-5-methoxy-n-dimethyl-2-(phenylethynyl)benzenepropanamine

19. Benzenepropanamine, N-(2-(3,4-dimethoxyphenyl)ethyl)-5-methoxy-n,.alpha.-dimethyl-2-(2-phenylethynyl)-

20. N-(2-(3,4-dimethoxyphenyl)-ethyl)-5-methoxy-n,alphadimethyl-2-(phenylethynyl)benzenepropanamine

21. N-(2-(3,4-dimethoxyphenyl)ethyl)-5-methoxy-n,.alpha.-dimethyl-2-(2-phenylethynyl)benzenepropanamine

22. N-[2-(3,4-dimethoxyphenyl)ethyl]-4-[5-methoxy-2-(2-phenylethynyl)phenyl]-n-methyl-butan-2-amine

23. N-[2-(3,4-dimethoxyphenyl)ethyl]-5-methoxy-n,alpha-dimethyl-2-(phenylethynyl)benzenepropanamine

2.4 Create Date

2005-08-08

3 Chemical and Physical Properties

Molecular Formula	C₃₀H₃₅NO₃
Molecular Weight	457.6 g/mol
XLogP3	6.9
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	12
Exact Mass	457.26169398 g/mol
Monoisotopic Mass	457.26169398 g/mol
Topological Polar Surface Area	30.9 Å²
Heavy Atom Count	34
Formal Charge	0
Complexity	634
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1