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25301-02-4 molecular structure
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ChemBase ID: 4429
Molecular Formular: C51H80O6
Molecular Mass: 789.1773
Monoisotopic Mass: 788.59549028
SMILES and InChIs

SMILES:
c1(c(cc(cc1Cc1c(c(cc(c1)C(C)(C)CC(C)(C)C)C)OCCO)C(C)(C)CC(C)(C)C)Cc1c(ccc(c1)C(C)(C)CC(C)(C)C)OCCO)OCCO
Canonical SMILES:
OCCOc1c(Cc2cc(ccc2OCCO)C(CC(C)(C)C)(C)C)cc(cc1Cc1cc(cc(c1OCCO)C)C(CC(C)(C)C)(C)C)C(CC(C)(C)C)(C)C
InChI:
InChI=1S/C51H80O6/c1-35-25-41(50(13,14)33-47(5,6)7)29-37(44(35)56-23-20-53)27-39-31-42(51(15,16)34-48(8,9)10)30-38(45(39)57-24-21-54)26-36-28-40(17-18-43(36)55-22-19-52)49(11,12)32-46(2,3)4/h17-18,25,28-31,52-54H,19-24,26-27,32-34H2,1-16H3
InChIKey:
UTFVNNPSMPINLE-UHFFFAOYSA-N

Cite this record

CBID:4429 http://www.chembase.cn/molecule-4429.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
Brand Name
SuperVent
Alevaire
Synonyms
Macrocyclon
Tyloxapol
CAS Number
25301-02-4
PubChem SID
160967861
PubChem CID
70789242

DATA SOURCES

DATA SOURCES

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Data Source Data ID Price

CALCULATED PROPERTIES

CALCULATED PROPERTIES

PROPERTIES

PROPERTIES

Bioassay(PubChem)

DETAILS

DETAILS

DrugBank DrugBank
DrugBank - DB06439 external link
Item Information
Drug Groups approved; investigational
Description Tyloxapol is a non-ionic detergent often used as a surfactant.
Indication Used as a surfactant to aid liquefaction and removal of mucopurulent (containing mucus and pus) bronchopulmonary secretions, administered by inhalation through a nebulizer or with a stream of oxygen. Also investigated for use/treatment in cystic fibrosis and pediatric indications.
Pharmacology It is used as a surfactant to aid liquefaction and removal of mucopurulent (containing mucus and pus) bronchopulmonary secretions. Tyloxapol also blocks plasma lipolytic activity, and thus the breakdown of triglyceride-rich lipoproteins.
Toxicity Acute oral LD50 in 1000 mg/kg in mouse and 5000 mg/kg in rat.
Affected Organisms
Humans and other mammals
References
Bhatia AJ, Wade GN: Effects of pregnancy and ovarian steroids on fatty acid synthesis and uptake in Syrian hamsters. Am J Physiol. 1991 Jan;260(1 Pt 2):R153-8. [Pubmed]
External Links
Wikipedia
Drugs.com

REFERENCES

REFERENCES

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  • • Bhatia AJ, Wade GN: Effects of pregnancy and ovarian steroids on fatty acid synthesis and uptake in Syrian hamsters. Am J Physiol. 1991 Jan;260(1 Pt 2):R153-8. Pubmed
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PATENTS

PATENTS

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INTERNET

INTERNET

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