EUROAPI, the leading small molecules API player, provides both API sales & CDMO services.

ACCESS ALL DATA
Browse all information
CHEMISTRY
Discover Molecule Insights

ACTIVE PHARMA INGREDIENTS

1 API Suppliers, 1 USDMF

1 API Suppliers
1 USDMF

DEVELOPMENTS

3 Drugs in Development

3 Drugs in Development

DIGITAL CONTENT

6 NEWS #PharmaBuzz

media
6 NEWS #PharmaBuzz

MARKET PLACE

1 APIs

marketPlace
1 APIs

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

3DRUGS 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: Ibogaine, monohydrochloride, Ibogaine hcl, Ibogaine (hcl), Dl-ibogamine hydrochloride, 5934-55-4, Ibogamine, 12-methoxy-, monohydrochloride

Molecular Formula

C₂₀H₂₇ClN₂O

Molecular Weight

346.9 g/mol

InChI Key

IKJFDJLQPHDRTD-ISYVNWANSA-N

FDA UNII

MRI8GKD98X

1 2D Structure

Ibogaine Hydrochloride

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

(1R,15R,17S,18S)-17-ethyl-7-methoxy-3,13-diazapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4(9),5,7-tetraene;hydrochloride

2.1.2 InChI

InChI=1S/C20H26N2O.ClH/c1-3-13-8-12-9-17-19-15(6-7-22(11-12)20(13)17)16-10-14(23-2)4-5-18(16)21-19;/h4-5,10,12-13,17,20-21H,3,6-9,11H2,1-2H3;1H/t12-,13+,17+,20+;/m1./s1

2.1.3 InChI Key

IKJFDJLQPHDRTD-ISYVNWANSA-N

2.1.4 Canonical SMILES

CCC1CC2CC3C1N(C2)CCC4=C3NC5=C4C=C(C=C5)OC.Cl

2.1.5 Isomeric SMILES

CC[C@H]1C[C@@H]2C[C@@H]3[C@H]1N(C2)CCC4=C3NC5=C4C=C(C=C5)OC.Cl

2.2 Other Identifiers

2.2.1 UNII

MRI8GKD98X

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. Ibogaine, Monohydrochloride

2. Ibogaine Hcl

3. Ibogaine (hcl)

4. Dl-ibogamine Hydrochloride

5. 5934-55-4

6. Ibogamine, 12-methoxy-, Monohydrochloride

7. Mri8gkd98x

8. Nsc-29847

9. 12-methoxyibogamine Monohydrochloride

10. (1r,15r,17s,18s)-17-ethyl-7-methoxy-3,13-diazapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4(9),5,7-tetraene;hydrochloride

11. 36415-61-9

12. Ibogaine Hydrochloride (van)

13. Einecs 227-687-1

14. Unii-mri8gkd98x

15. Nsc 29847

16. (2r,4s,4as,12br)-4-ethyl-2,5-methano-9-methoxy-2,3,4,4a,6,7,12,12b-octahydro-1h-indolo[3,2-d][1]benzazepine Monohydrochloride

17. Ncgc00247731-01

18. Ibogamine, Monohydrochloride

19. Bogaine Hydrochloride

20. Dsstox_cid_28803

21. Dsstox_rid_83072

22. Dsstox_gsid_48877

23. Ibogaine, Hydrochloride

24. Schembl431979

25. Chembl2360520

26. Dtxsid7048877

27. Ibogaine Monohydrochloride

28. Ibogaine Hydrochloride [mi]

29. Nsc29847

30. Tox21_112897

31. Ibogaine Hydrochloride [vandf]

32. Ibogaine Hydrochloride [who-dd]

33. Cas-36415-61-9

34. Ibogamine, 12-methoxy-, Hydrochloride (1:1)

35. Q27284192

36. Wln: T E6 C5 B766/ns A 2bo S Dm Nn&&tttj Ho1 P2 &gh

2.4 Create Date

2005-08-09

3 Chemical and Physical Properties

Molecular Formula	C₂₀H₂₇ClN₂O
Molecular Weight	346.9 g/mol
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Exact Mass	346.1811912 g/mol
Monoisotopic Mass	346.1811912 g/mol
Topological Polar Surface Area	28.3 Å²
Heavy Atom Count	24
Formal Charge	0
Complexity	455
Isotope Atom Count	0
Defined Atom Stereocenter Count	4
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	2