DRL offers a portfolio of products & services, including APIs, CMO services, generics, biosimilars & differentiated formulations.

Virtual Booth

Contact Supplier

Valsynthese, part of the SSE Group, is a CDMO focused on highly energetic and highly hazardous chemistry.

ACCESS ALL DATA
Browse all information
CHEMISTRY
Discover Molecule Insights

ACTIVE PHARMA INGREDIENTS

1 API Suppliers, 1 Listed Suppliers

1 API Suppliers
1 Listed Suppliers

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: Isomethepdrine chloride, 6168-86-1, Isometheptene hcl, (1,5-dimethylhex-4-enyl)methylammonium chloride, 2-methylaminoisooctane hydrochloride, Nsc-13066

Molecular Formula

C₉H₂₀ClN

Molecular Weight

177.71 g/mol

InChI Key

AUERTJOCDMCUAL-UHFFFAOYSA-N

FDA UNII

9Z4CJC3O5F

1 2D Structure

Isometheptene hydrochloride

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

N,6-dimethylhept-5-en-2-amine;hydrochloride

2.1.2 InChI

InChI=1S/C9H19N.ClH/c1-8(2)6-5-7-9(3)10-4;/h6,9-10H,5,7H2,1-4H3;1H

2.1.3 InChI Key

AUERTJOCDMCUAL-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CC(CCC=C(C)C)NC.Cl

2.2 Other Identifiers

2.2.1 UNII

9Z4CJC3O5F

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. Isomethepdrine Chloride

2. 6168-86-1

3. Isometheptene Hcl

4. (1,5-dimethylhex-4-enyl)methylammonium Chloride

5. 2-methylaminoisooctane Hydrochloride

6. Nsc-13066

7. 5-hepten-2-amine, N,6-dimethyl-, Hydrochloride

8. 9z4cjc3o5f

9. 4-hexenylamine, N,1,5-trimethyl-, Hydrochloride

10. N,6-dimethylhept-5-en-2-amine;hydrochloride

11. N,1,5-trimethyl-4-hexenylamine Hydrochloride

12. Dimethylheptene Methylamine Hcl (isometheptene Hcl)

13. Einecs 228-211-5

14. Nsc 13066

15. Methylamino-methylheptene Hydrochloride

16. Unii-9z4cjc3o5f

17. Octin Hydrochloride

18. Ncgc00181139-01

19. Dsstox_cid_26869

20. Dsstox_rid_81976

21. Dsstox_gsid_46869

22. Schembl2820117

23. Chembl2105026

24. Dtxsid9046869

25. 15-ketoprostaglandinf2alpha

26. Nsc13066

27. Tox21_112745

28. Wln: 1y1&u3y1&m1 &gh

29. (2-methylamino)isooctane Hydrochloride

30. (methylamino)methylheptene Hydrochloride

31. Isometheptene Hydrochloride [mi]

32. (+/-)-isometheptene Hydrochloride

33. Cas-6168-86-1

34. Isometheptene Hydrochloride [mart.]

35. Isometheptene Hydrochloride [who-dd]

36. Isometheptene Hydrochloride, (+/-)-

37. 4-hexenylamine,1,5-trimethyl-, Hydrochloride

38. 5-hepten-2-amine,6-dimethyl-, Hydrochloride

39. (1,5-dimethylhex-4-enyl)methylammoniumchloride

40. Q27273404

41. 5-hepten-2-amine, N,6-dimethyl-, Hydrochloride (1:1)

2.4 Create Date

2005-08-08

3 Chemical and Physical Properties

Molecular Formula	C₉H₂₀ClN
Molecular Weight	177.71 g/mol
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	4
Exact Mass	g/mol
Monoisotopic Mass	g/mol
Topological Polar Surface Area	12
Heavy Atom Count	11
Formal Charge	0
Complexity	101
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	2