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Chemistry

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Also known as: Delphinidin chloride, 528-53-0, Delphinidine, Delphinidol, Ephdine, Delfinidol chloride
Molecular Formula
C15H11ClO7
Molecular Weight
338.69  g/mol
InChI Key
FFNDMZIBVDSQFI-UHFFFAOYSA-N
FDA UNII
EM6MD4AEHE

Delphinidin Chloride
1 2D Structure

Delphinidin Chloride

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
2-(3,4,5-trihydroxyphenyl)chromenylium-3,5,7-triol;chloride
2.1.2 InChI
InChI=1S/C15H10O7.ClH/c16-7-3-9(17)8-5-12(20)15(22-13(8)4-7)6-1-10(18)14(21)11(19)2-6;/h1-5H,(H5-,16,17,18,19,20,21);1H
2.1.3 InChI Key
FFNDMZIBVDSQFI-UHFFFAOYSA-N
2.1.4 Canonical SMILES
C1=C(C=C(C(=C1O)O)O)C2=[O+]C3=CC(=CC(=C3C=C2O)O)O.[Cl-]
2.2 Other Identifiers
2.2.1 UNII
EM6MD4AEHE
2.3 Synonyms
2.3.1 MeSH Synonyms

1. Delphinidin Chloride

2.3.2 Depositor-Supplied Synonyms

1. Delphinidin Chloride

2. 528-53-0

3. Delphinidine

4. Delphinidol

5. Ephdine

6. Delfinidol Chloride

7. 8012-95-1

8. 3,3',4',5,5',7-hexahydroxyflavylium Chloride

9. Delphinidin (chloride)

10. 1-benzopyrylium, 3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)-, Chloride

11. Em6md4aehe

12. 2-(3,4,5-trihydroxyphenyl)chromenylium-3,5,7-triol Chloride

13. Idb 1056

14. 2-(3,4,5-trihydroxyphenyl)chromenylium-3,5,7-triol;chloride

15. Chebi:38701

16. 3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)benzopyrylium Chloride

17. 3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)-1-benzopyrylium Chloride

18. 3,3',4',5,5',7-hexahydroxy-2-phenylbenzopyrylium Chloride

19. 3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)chromenylium Chloride

20. Delphinidine; Delphinidol; Ephdine; Idb 1056;delfinidol Chloride; Delphinidin

21. Chembl590878

22. Delphinidin Chloride, Analytical Standard

23. Ccris 2518

24. Unii-em6md4aehe

25. Einecs 208-437-0

26. Paraffin Oils

27. Delphinidinchloride

28. 2-(3,4,5-trihydroxyphenyl)-1-benzopyrylium-3,5,7-triol

29. Mfcd00016663

30. Delphinidin [mi]

31. Schembl22369

32. Flavylium 3,3',4',5,5',7-hexahydroxy-, Chloride

33. Idb-1056

34. Dtxsid701019982

35. 3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)chromenium Chloride

36. Bcp15819

37. Hy-n2409

38. 3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)-1-benzopyrylium Chloride (1:1)

39. Akos027326494

40. Ac-35150

41. As-78369

42. Cs-0022610

43. Ft-0645153

44. Ft-0665679

45. E88811

46. Q367258

47. 3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)chromenyliumchloride

2.4 Create Date
2005-08-01
3 Chemical and Physical Properties
Molecular Weight 338.69 g/mol
Molecular Formula C15H11ClO7
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count7
Rotatable Bond Count1
Exact Mass338.0193304 g/mol
Monoisotopic Mass338.0193304 g/mol
Topological Polar Surface Area122 Ų
Heavy Atom Count23
Formal Charge0
Complexity380
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count2
4 Drug and Medication Information
4.1 Therapeutic Uses

In severe cases of constipation, such as with fecal impaction, mineral oil and stool softener laxatives administered orally or rectally are indicated to soften the impacted feces. To help complete the evacuation of the impacted colon, a rectal stimulation or saline laxative may follow.

USP Convention. USPDI-Drug Information for the Health Care Professional. 14th ed. Volume I. Rockville, MD: United States Pharmacopeial Convention, Inc., 1994. (Plus Updates)., p. 1704


Medication (vet): orally, as a laxative with light grades (low viscosity) even having some advantage in animals over heavy grades (high viscosity).

Rossoff, I.S. Handbook of Veterinary Drugs. New York: Springer Publishing Company, 1974., p. 366


MEDICATION (VET): A preparation that contains 0.5% neomycin, 1% carbaryl, 9% sulfacetamide, 0.5% tetracaine, and 88.1% mineral oil is used in treatment of ear infections and ear mite infestations of small animals, including rabbits...

Booth, N.H., L.E. McDonald (eds.). Veterinary Pharmacology and Therapeutics. 5th ed. Ames, Iowa: Iowa State University Press, 1982., p. 668


Increase water retention in the stool by coating surfaces of stool and intestines with a water-immiscible film. Lubricant effect eases passage of contents through intestines. Emulsification of lubricant tends to enhance its ability to soften stool mass.

USP Convention. USPDI-Drug Information for the Health Care Professional. 14th ed. Volume I. Rockville, MD: United States Pharmacopeial Convention, Inc., 1994. (Plus Updates)., p. 1705


For more Therapeutic Uses (Complete) data for Mineral oil (7 total), please visit the HSDB record page.


4.2 Drug Warning

In the 1940s, oleothorax (paraffin oil instillation) was widely used to treat patients with apical tuberculosis. The oil plombage should have been removed after a few years; however, since oleothoraces were usually asymptomatic, removal was uncommon. These in the meantime elderly patients are at risk of late complications, such as rupture of the oleothorax and aspiration of oil. We report the case of a 69-year-old man with a spontaneous rupture of an oleothorax leading to oil aspiration, lipid pneumonia and culture-proven disseminated tuberculosis with fatal outcome. Unexpected positive PCR for M. tuberculosis-DNA in tracheal secretions was one of the leading signs in this case. Thus oil plombage in patients with oleothorax may be "time bombs". Primary physicians should be aware of this life-threatening complication.

PMID:9857431 Kniehl E et al; Wien Klin Wochenschr 110 (20): 725-8 (1998)


In recent years, the oral use of mineral oil has not been advocated because of the possibility of interference with the absorption of fat-soluble vitamins and the danger of pulmonary aspiration. The dose required for the former effect exceeds that normally used in clinical practice. ... Oral mineral oil should not be given to patients with swallowing abnormalities.

American Medical Association, Council on Drugs. AMA Drug Evaluations Annual 1994. Chicago, IL: American Medical Association, 1994., p. 951


Oral mineral oil is not recommended for bedridden elderly patients since they are more prone to aspiration of oil droplets, which amy produce lipid pneumonia.

USP Convention. USPDI-Drug Information for the Health Care Professional. 14th ed. Volume I. Rockville, MD: United States Pharmacopeial Convention, Inc., 1994. (Plus Updates)., p. 1705


Oral mineral oil is not recommended for children up to 6 years of age since patients in this age group are more prone to aspiration of oil droplets, which may produce lipid pneumonia.

USP Convention. USPDI-Drug Information for the Health Care Professional. 14th ed. Volume I. Rockville, MD: United States Pharmacopeial Convention, Inc., 1994. (Plus Updates)., p. 1705


For more Drug Warnings (Complete) data for Mineral oil (6 total), please visit the HSDB record page.


4.3 Minimum/Potential Fatal Human Dose

1= Practically non-toxic: probable oral lethal dose (human) above 15 g/kg, more than 1 quart (2.2 lb) for 70 kg person (150 lb).

Gosselin, R.E., R.P. Smith, H.C. Hodge. Clinical Toxicology of Commercial Products. 5th ed. Baltimore: Williams and Wilkins, 1984., p. II-156


5 Pharmacology and Biochemistry
5.1 Absorption, Distribution and Excretion

Vet: ... parenterally, in ... vaccines to prolong antigen effect. Histological studies indicate that great deal of ... oil remains at injection site for long time, with macrophages picking up small amounts and transporting it through lymphatic system. Its ultimate fate is still unknown.

Rossoff, I.S. Handbook of Veterinary Drugs. New York: Springer Publishing Company, 1974., p. 367


When large amounts of liquid petrolatum were fed to rabbits, rats and guinea pigs, small quantities were deposited in the mesenteric lymph nodes and, in several cases, in the intestinal mucosa, liver and spleen.

IARC. Monographs on the Evaluation of the Carcinogenic Risk of Chemicals to Humans. Geneva: World Health Organization, International Agency for Research on Cancer, 1972-PRESENT. (Multivolume work). Available at: https://monographs.iarc.fr/ENG/Classification/index.php, p. V33 132 (1984)


Tritiated mineral oil was administered orally or by ip injection to Sprague-Dawley and Holtzman rats. Five hours after oral administration of 0.66 mL/kg body weight, 1.5% of the dose had been absorbed unchanged, and an additional 1.5% was found in the carcasses as non-mineral oil substances. Liver, fat, kidney, brain and spleen contained mineral oil. Within two days, only 0.3% remained in the animals. After ip administration, the mineral oil was retained to a greater extent, and only 11% had been excreted in the feces eight days after treatment.

IARC. Monographs on the Evaluation of the Carcinogenic Risk of Chemicals to Humans. Geneva: World Health Organization, International Agency for Research on Cancer, 1972-PRESENT. (Multivolume work). Available at: https://monographs.iarc.fr/ENG/Classification/index.php, p. V33 133 (1984)


In general, mineral oil is absorbed to only a limited extent from the gastrointestinal tract. However, it as found in the liver, spleen, mesenteric and portal-hepatic lymph nodes and lungs of a man known to have ingested large amounts of liquid paraffin over many years. Mineral oil has been observed by differential staining and gas chromatography (GC) procedures in the lung tissue of many individuals who routinely use mineral oil by oral or nasal administration

IARC. Monographs on the Evaluation of the Carcinogenic Risk of Chemicals to Humans. Geneva: World Health Organization, International Agency for Research on Cancer, 1972-PRESENT. (Multivolume work). Available at: https://monographs.iarc.fr/ENG/Classification/index.php, p. V33 136 (1984)


For more Absorption, Distribution and Excretion (Complete) data for Mineral oil (10 total), please visit the HSDB record page.


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