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ChemBase ID:
4429
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Molecular Formular:
C51H80O6
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Molecular Mass:
789.1773
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Monoisotopic Mass:
788.59549028
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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
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Cite this record
CBID:4429 http://www.chembase.cn/molecule-4429.html
NAMES AND DATABASE IDS
NAMES AND DATABASE IDS
Names Database IDs
CAS Number
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DATA SOURCES
DATA SOURCES
All Sources Commercial Sources Non-commercial Sources
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CALCULATED PROPERTIES
CALCULATED PROPERTIES
PROPERTIES
PROPERTIES
Bioassay(PubChem)
DETAILS
DETAILS
DrugBank
DrugBank -
DB06439
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Item |
Information |
Drug Groups
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approved; investigational |
Description
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Tyloxapol is a non-ionic detergent often used as a surfactant.
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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 |
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Humans and other mammals |
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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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External Links |
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PATENTS
PATENTS
PubChem Patent
Google Patent