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

2 API Suppliers, 1 USDMF, 1 NDC API, 1 Listed Suppliers

2 API Suppliers
1 USDMF
1 NDC API
1 Listed Suppliers

DEVELOPMENTS

2 Drugs in Development

2 Drugs in Development

INTERMEDIATES

1 Intermediates Suppliers

1 Intermediates Suppliers

MARKET PLACE

3 APIs

marketPlace
3 APIs

REF. STANDARDS & IMPURITIES

1 Others

otherSolutions
1 Others

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

1INTERMEDIATES

FINISHED DOSAGE FORMULATIONS

FDF Dossiers

FDA Orange Book

Europe

Canada

Australia

South Africa

Listed Dossiers

2DRUGS 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: Octin mucate, 8o120fds6p, N,1,5-trimethyl-4-hexenylamine mucate, Isometheptene, galactarate (2:1) (salt), Isometheptene mucate (usp), Isometheptene mucate [usp]

Molecular Formula

C₂₄H₄₈N₂O₈

Molecular Weight

492.6 g/mol

InChI Key

WSXKZIDINJKWPM-IBGZLQDMSA-N

FDA UNII

8O120FDS6P

1 2D Structure

Isometheptene Mucate

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

N,6-dimethylhept-5-en-2-amine;(2S,3R,4S,5R)-2,3,4,5-tetrahydroxyhexanedioic acid

2.1.2 InChI

InChI=1S/2C9H19N.C6H10O8/c2*1-8(2)6-5-7-9(3)10-4;7-1(3(9)5(11)12)2(8)4(10)6(13)14/h2*6,9-10H,5,7H2,1-4H3;1-4,7-10H,(H,11,12)(H,13,14)/t;;1-,2+,3+,4-

2.1.3 InChI Key

WSXKZIDINJKWPM-IBGZLQDMSA-N

2.1.4 Canonical SMILES

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

2.1.5 Isomeric SMILES

CC(CCC=C(C)C)NC.CC(CCC=C(C)C)NC.[C@@H]([C@@H]([C@H](C(=O)O)O)O)([C@@H](C(=O)O)O)O

2.2 Other Identifiers

2.2.1 UNII

8O120FDS6P

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. Octin Mucate

2. 8o120fds6p

3. N,1,5-trimethyl-4-hexenylamine Mucate

4. Isometheptene, Galactarate (2:1) (salt)

5. Isometheptene Mucate (usp)

6. Isometheptene Mucate [usp]

7. 4-hexenylamine, N,1,5-trimethyl-, Mucate (2:1)

8. 4-hexenylamine, N,1,5-trimethyl-, Galactarate (2:1)

9. 4-hexenylamine, N,1,5-trimethyl-, Compd. With Galactaric Acid (2:1)

10. 6-methylamino-2-methylheptene, Tetrahydroxyadipic Acid (2:1) (salt)

11. Galactaric Acid, Compd. With N,1,5-trimethyl-4-hexenylamine (1:2)

12. Galactaric Acid, Compound With N,1,5-trimethylhex-4-en-1-ylamine (1:2)

13. N,6-dimethylhept-5-en-2-amine;(2s,3r,4s,5r)-2,3,4,5-tetrahydroxyhexanedioic Acid

14. Isometheptenemucate

15. Ncgc00017158-02

16. Isometheptane Mucate

17. Isometheptene Mucate, Usp

18. Dsstox_cid_28788

19. Dsstox_rid_83057

20. Unii-8o120fds6p

21. Dsstox_gsid_48862

22. Schembl94782

23. Chembl2355839

24. Dtxsid8048862

25. Isometheptene Mucate [mi]

26. Einecs 231-315-3

27. Isometheptene Mucate [vandf]

28. Tox21_113355

29. Isometheptene Mucate [mart.]

30. Isometheptene Mucate [usp-rs]

31. Isometheptene Mucate [who-dd]

32. Cas-7492-31-1

33. Isometheptene Mucate [usp Monograph]

34. D07097

35. Q27270804

2.4 Create Date

2007-02-12

3 Chemical and Physical Properties

Molecular Formula	C₂₄H₄₈N₂O₈
Molecular Weight	492.6 g/mol
Hydrogen Bond Donor Count	8
Hydrogen Bond Acceptor Count	10
Rotatable Bond Count	13
Exact Mass	492.34106649 g/mol
Monoisotopic Mass	492.34106649 g/mol
Topological Polar Surface Area	180 Å²
Heavy Atom Count	34
Formal Charge	0
Complexity	303
Isotope Atom Count	0
Defined Atom Stereocenter Count	4
Undefined Atom Stereocenter Count	2
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	3