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

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 USDMF, $ API Reference Price

1 API Suppliers
1 USDMF
$ API Reference Price

Synopsis

ACTIVE PHARMA INGREDIENTS

API Suppliers

USDMF

CEP/COS

JDMF

EU WC

KDMF

NDC API

VMF

Listed Suppliers

API REF. PRICE (USD/KG)

$ 170,840

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: 548-43-6, 8,9-didehydro-6-methylergoline-8-methanol, 5lr46dlo0d, Elimoclavin, ((6ar,10ar)-7-methyl-4,6,6a,7,8,10a-hexahydroindolo[4,3-fg]quinolin-9-yl)methanol, [(6ar,10ar)-7-methyl-6,6a,8,10a-tetrahydro-4h-indolo[4,3-fg]quinolin-9-yl]methanol

Molecular Formula

C₁₆H₁₈N₂O

Molecular Weight

254.33 g/mol

InChI Key

DAVNRFCJMIONPO-UKRRQHHQSA-N

FDA UNII

5LR46DLO0D

elymoclavine is a natural product found in Jacquemontia tamnifolia, Ipomoea muricata, and other organisms with data available.

1 2D Structure

Elymoclavine

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

[(6aR,10aR)-7-methyl-6,6a,8,10a-tetrahydro-4H-indolo[4,3-fg]quinolin-9-yl]methanol

2.1.2 InChI

InChI=1S/C16H18N2O/c1-18-8-10(9-19)5-13-12-3-2-4-14-16(12)11(7-17-14)6-15(13)18/h2-5,7,13,15,17,19H,6,8-9H2,1H3/t13-,15-/m1/s1

2.1.3 InChI Key

DAVNRFCJMIONPO-UKRRQHHQSA-N

2.1.4 Canonical SMILES

CN1CC(=CC2C1CC3=CNC4=CC=CC2=C34)CO

2.1.5 Isomeric SMILES

CN1CC(=C[C@H]2[C@H]1CC3=CNC4=CC=CC2=C34)CO

2.2 Other Identifiers

2.2.1 UNII

5LR46DLO0D

2.3 Synonyms

2.3.1 MeSH Synonyms

1. Elymoclavine Hydrochloride

2. Elymoklavine

2.3.2 Depositor-Supplied Synonyms

1. 548-43-6

2. 8,9-didehydro-6-methylergoline-8-methanol

3. 5lr46dlo0d

4. Elimoclavin

5. ((6ar,10ar)-7-methyl-4,6,6a,7,8,10a-hexahydroindolo[4,3-fg]quinolin-9-yl)methanol

6. [(6ar,10ar)-7-methyl-6,6a,8,10a-tetrahydro-4h-indolo[4,3-fg]quinolin-9-yl]methanol

7. Spectrum5_001634

8. Unii-5lr46dlo0d

9. Nsc-109431

10. Einecs 208-948-9

11. Nsc 109431

12. Brn 0030650

13. Elymoclavine [mi]

14. 4-23-00-02716 (beilstein Handbook Reference)

15. Schembl183704

16. Spectrum1800052

17. Chebi:4777

18. Chembl3706997

19. Dtxsid70970145

20. Zinc896007

21. C06068

22. Methanol, (8,9-didehydro-6-methylergolin-8-yl)-

23. Q5368476

24. [(2r,7r)-6-methyl-6,11-diazatetracyclo[7.6.1.0?,?.0??,??]hexadeca-1(16),3,9,12,14-pentaen-4-yl]methanol

2.4 Create Date

2005-06-24

3 Chemical and Physical Properties

Molecular Formula	C₁₆H₁₈N₂O
Molecular Weight	254.33 g/mol
XLogP3	1.3
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	254.141913202 g/mol
Monoisotopic Mass	254.141913202 g/mol
Topological Polar Surface Area	39.3 Å²
Heavy Atom Count	19
Formal Charge	0
Complexity	394
Isotope Atom Count	0
Defined Atom Stereocenter Count	2
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1