Hematoporphyrin dihydrochloride

Basic Information

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CAS Number

17696-69-4

Molecular Formula

C34H40Cl2N4O6

Molecular Weight

671.6 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Agricultural Chemicals Pesticides Herbicides

Laboratory Chemicals Research Chemicals Biochemical Reagents

Basic Physical Properties

Boiling Point

1192.7°C at 760 mmHg

Water Solubility

Insoluble in water. Soluble in pyridine (5%).

SMILES

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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

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

InChIKey

WZQQOXSHARXAID-UHFFFAOYSA-N

LogP

7.472840000000007

Topological Polar Surface Area

172.42 Å²

Hydrogen Bond Donor/Acceptor

6 / 10

Complexity

1020

Safety Information

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Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Synonyms & References

English

NCGC00095869-02
HEMATOPORPHYRIN DIHYDROCHLORIDE
O535A6S0T2
AKOS015911627
CS-5467
21H,23H-Porphine-2,18-dipropanoic acid, 7,12-bis(1-hydroxyethyl)-3,8,13,17-tetramethyl-, hydrochloride (1:2)
SCHEMBL498346
HY-B0754A
Apiabasilon
CHEMBL1319648
WLZ3567
Ematoporfirina [Italian]
CCG-38689
Hematoporphyrin (dihydrochloride)
EINECS 241-699-4
Haematoporphyrin dihydrochloride
Hematoporphyrin HCl
3-[18-(2-carboxyethyl)-8,13-bis(1-hydroxyethyl)-3,7,12,17-tetramethyl-22,23-dihydroporphyrin-2-yl]propanoic acid;dihydrochloride
NCGC00095869-03
SPECTRUM700024
Ematoporfirina
MFCD00013470
Hematoporphyrin dichydrochloride
Vitamorell
21H,23H-Porphine-2,18-dipropanoic acid, 7,12-bis(1-hydroxyethyl)-3,8,13,17-tetramethyl-, dihydrochloride
NCGC00095869-01
2,18-Porphinedipropionic acid, 7,12-bis(1-hydroxyethyl)-3,8,13,17-tetramethyl-, dihydrochloride
21H,23H-Porphine-2,18-propanoic acid, 7,12-bis(1-hydroxyethyl)-3,8,13,17-tetramethyl-, 2HCl
7,12-Bis(1-hydroxyethyl)-3,8,13,17-tetramethyl-2,18-porphinedipropionic acid 2HCl
Hematoporphyrin DiHCl CAS 17696-69-4
Acido 1,3,5,8-tetrametil-2,4-bis(idrossietil)porpfina-6,7-dipropionico dicloridrato

MDL Number

MFCD00013470

FAQ

What regulatory guidelines apply to Hematoporphyrin dihydrochloride (CAS: 17696-69-4)?

Hematoporphyrin dihydrochloride (CAS: 17696-69-4) falls under GHS classification for hazardous chemicals. It is also subject to REACH regulations in the European Union, which require manufacturers and importers to register substances with the European Chemicals Agency. In the United States, FDA and EPA have specific requirements for the handling and use of this compound in medical and research applications. Ensure compliance by consulting the latest regulatory guidelines and obtaining relevant approvals.

Are there alternatives to Hematoporphyrin dihydrochloride (CAS: 17696-69-4) in synthesis?

There are several alternatives to Hematoporphyrin dihydrochloride (CAS: 17696-69-4) in synthesis, including porphyrin analogs and other metalloporphyrins. These alternatives offer similar photophysical properties but may differ in stability and reactivity. Common substitutes include mesoporphyrin, protoporphyrin, and chlorin e6, which can be used in similar applications such as photochemical therapy and fluorescence imaging.

What is the market or research trend for Hematoporphyrin dihydrochloride (CAS: 17696-69-4)?

The trend for Hematoporphyrin dihydrochloride (CAS: 17696-69-4) is growing due to its applications in photodynamic therapy and fluorescence imaging. Research is focusing on optimizing its use in cancer treatment and diagnosis. Market demand is increasing as more studies validate its efficacy and safety. However, pricing and availability can fluctuate based on supply and demand in the medical and pharmaceutical sectors.

How should waste containing Hematoporphyrin dihydrochloride (CAS: 17696-69-4) be handled?

Waste containing Hematoporphyrin dihydrochloride (CAS: 17696-69-4) should be collected in appropriate containers and labeled for hazardous waste. Incineration or professional waste disposal services are recommended to ensure safe and compliant disposal. Environmental protection precautions include following local and national regulations, using personal protective equipment, and minimizing exposure to the compound during handling and disposal processes.