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Chemistry

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Also known as: 1593673-23-4, Msp-2017, (-)-msp-2017, Ms)-msp-2017, S82a18y42p, Methyl (s)-3-(2-((4-cyano-4-(3,4-dimethoxyphenyl)-5-methylhexyl)(methyl)amino)ethyl)benzoate

Molecular Formula

C₂₇H₃₆N₂O₄

Molecular Weight

452.6 g/mol

InChI Key

VAZNEHLGJGSQEL-MHZLTWQESA-N

FDA UNII

S82A18Y42P

Etripamil has been used in trials studying the treatment of Paroxysmal Supraventricular Tachycardia (PSVT).

1 2D Structure

Etripamil

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

methyl 3-[2-[[(4S)-4-cyano-4-(3,4-dimethoxyphenyl)-5-methylhexyl]-methylamino]ethyl]benzoate

2.1.2 InChI

InChI=1S/C27H36N2O4/c1-20(2)27(19-28,23-11-12-24(31-4)25(18-23)32-5)14-8-15-29(3)16-13-21-9-7-10-22(17-21)26(30)33-6/h7,9-12,17-18,20H,8,13-16H2,1-6H3/t27-/m0/s1

2.1.3 InChI Key

VAZNEHLGJGSQEL-MHZLTWQESA-N

2.1.4 Canonical SMILES

CC(C)C(CCCN(C)CCC1=CC(=CC=C1)C(=O)OC)(C#N)C2=CC(=C(C=C2)OC)OC

2.1.5 Isomeric SMILES

CC(C)[C@](CCCN(C)CCC1=CC(=CC=C1)C(=O)OC)(C#N)C2=CC(=C(C=C2)OC)OC

2.2 Other Identifiers

2.2.1 UNII

S82A18Y42P

2.3 Synonyms

2.3.1 MeSH Synonyms

1. Benzoic Acid, 3-(2-(((4s)-4-cyano-4-(3,4-dimethoxyphenyl)-5-methylhexyl)methylamino)ethyl)-, Methyl Ester

2. Methyl 3-(2-(((4s)-4-cyano-4-(3,4-dimethoxyphenyl)-5-methylhexyl)(methyl)amino)ethyl)benzoate

2.3.2 Depositor-Supplied Synonyms

1. 1593673-23-4

2. Msp-2017

3. (-)-msp-2017

4. Ms)-msp-2017

5. S82a18y42p

6. Methyl (s)-3-(2-((4-cyano-4-(3,4-dimethoxyphenyl)-5-methylhexyl)(methyl)amino)ethyl)benzoate

7. Benzoic Acid, 3-(2-(((4s)-4-cyano-4-(3,4-dimethoxyphenyl)-5-methylhexyl)methylamino)ethyl)- , Methyl Ester

8. Etripamil [usan:inn]

9. Unii-s82a18y42p

10. Etripamil [inn]

11. Etripamil (usan/inn)

12. Etripamil [usan]

13. Etripamil [who-dd]

14. Chembl3707312

15. Ex-a5306

16. Db12605

17. Hy-17611

18. Cs-0014689

19. D10932

20. Q27289030

21. Benzoic Acid, 3-(2-(((4s)-4-cyano-4-(3,4-dimethoxyphenyl)-5-methylhexyl)methylamino)ethyl)-, Methyl Ester

22. Methyl 3-[2-[[(4s)-4-cyano-4-(3,4-dimethoxyphenyl)-5-methylhexyl]-methylamino]ethyl]benzoate

2.4 Create Date

2015-07-27

3 Chemical and Physical Properties

Molecular Formula	C₂₇H₃₆N₂O₄
Molecular Weight	452.6 g/mol
XLogP3	3.7
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	13
Exact Mass	452.26750763 g/mol
Monoisotopic Mass	452.26750763 g/mol
Topological Polar Surface Area	71.8 Å²
Heavy Atom Count	33
Formal Charge	0
Complexity	645
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

4 Drug and Medication Information

4.1 Drug Indication

Treatment of supraventricular arrhythmias

5 Pharmacology and Biochemistry

5.1 MeSH Pharmacological Classification

Calcium Channel Blockers

A class of drugs that act by selective inhibition of calcium influx through cellular membranes. (See all compounds classified as Calcium Channel Blockers.)

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Seqens

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Medlab Asia & Asia Health

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

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Etripamil

About the Company : Since its inception in 2003, Seqens has grown to become a global leader in pharmaceutical solutions and specialty ingredients. Seqens supports its customers in developing, scaling ...

Since its inception in 2003, Seqens has grown to become a global leader in pharmaceutical solutions and specialty ingredients. Seqens supports its customers in developing, scaling up and manufacturing drug substances from the pre-clinical phase to the commercial phase. It offers a large portfolio of APIs and proprietary products. Seqens also develops custom solutions and ingredients for the most demanding industries, such as healthcare, electronics and cosmetics. Its unique range of technologies enables it to manufacture complex molecules for small- and large-scale demands. It operates 24 industrial plants and 10 R&D centres across the globe.