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

2 API Suppliers, 2 USDMF

2 API Suppliers
2 USDMF

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

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: 17696-69-4, Haematoporphyrin dihydrochloride, Hematoporphyrin (dihydrochloride), 3-[18-(2-carboxyethyl)-8,13-bis(1-hydroxyethyl)-3,7,12,17-tetramethyl-22,23-dihydroporphyrin-2-yl]propanoic acid;dihydrochloride, Apiabasilon, Vitamorell

Molecular Formula

C₃₄H₄₀Cl₂N₄O₆

Molecular Weight

671.6 g/mol

InChI Key

WZQQOXSHARXAID-UHFFFAOYSA-N

1 2D Structure

Hematoporphyrin Dihydrochloride

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

3-[18-(2-carboxyethyl)-8,13-bis(1-hydroxyethyl)-3,7,12,17-tetramethyl-22,23-dihydroporphyrin-2-yl]propanoic acid;dihydrochloride

2.1.2 InChI

InChI=1S/C34H38N4O6.2ClH/c1-15-21(7-9-31(41)42)27-14-28-22(8-10-32(43)44)16(2)24(36-28)12-29-34(20(6)40)18(4)26(38-29)13-30-33(19(5)39)17(3)25(37-30)11-23(15)35-27;;/h11-14,19-20,37-40H,7-10H2,1-6H3,(H,41,42)(H,43,44);2*1H

2.1.3 InChI Key

WZQQOXSHARXAID-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CC1=C(C2=CC3=NC(=CC4=NC(=CC5=C(C(=C(N5)C=C1N2)C(C)O)C)C(=C4CCC(=O)O)C)C(=C3C)CCC(=O)O)C(C)O.Cl.Cl

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 17696-69-4

2. Haematoporphyrin Dihydrochloride

3. Hematoporphyrin (dihydrochloride)

4. 3-[18-(2-carboxyethyl)-8,13-bis(1-hydroxyethyl)-3,7,12,17-tetramethyl-22,23-dihydroporphyrin-2-yl]propanoic Acid;dihydrochloride

5. Apiabasilon

6. Vitamorell

7. Ematoporfirina

8. Ematoporfirina [italian]

9. 21h,23h-porphine-2,18-dipropanoic Acid, 7,12-bis(1-hydroxyethyl)-3,8,13,17-tetramethyl-, Dihydrochloride

10. Hematoporphyrin Hcl

11. O535a6s0t2

12. Hematoporphyrin Dichydrochloride

13. 21h,23h-porphine-2,18-dipropanoic Acid, 7,12-bis(1-hydroxyethyl)-3,8,13,17-tetramethyl-, Hydrochloride (1:2)

14. Einecs 241-699-4

15. Mfcd00013470

16. Unii-o535a6s0t2

17. 7,12-bis(1-hydroxyethyl)-3,8,13,17-tetramethyl-2,18-porphinedipropionic Acid 2hcl

18. Acido 1,3,5,8-tetrametil-2,4-bis(idrossietil)porpfina-6,7-dipropionico Dicloridrato

19. Spectrum700024

20. 21h,23h-porphine-2,18-propanoic Acid, 7,12-bis(1-hydroxyethyl)-3,8,13,17-tetramethyl-, 2hcl

21. Schembl498346

22. Schembl498777

23. Chembl1319648

24. Hy-b0754a

25. Ccg-38689

26. Akos015911627

27. Cs-5467

28. Ncgc00095869-01

29. Ncgc00095869-02

30. Ncgc00095869-03

31. 2,18-porphinedipropionic Acid, 7,12-bis(1-hydroxyethyl)-3,8,13,17-tetramethyl-, Dihydrochloride

32. Hematoporphyrin Dihcl Cas 17696-69-4

33. Ft-0626880

34. H-1450

2.3 Create Date

2005-08-08

3 Chemical and Physical Properties

Molecular Formula	C₃₄H₄₀Cl₂N₄O₆
Molecular Weight	671.6 g/mol
Hydrogen Bond Donor Count	8
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	8
Exact Mass	670.2324904 g/mol
Monoisotopic Mass	670.2324904 g/mol
Topological Polar Surface Area	172 Å²
Heavy Atom Count	46
Formal Charge	0
Complexity	1020
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	2
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	3