Muldamine
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Muldamine
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CAS No:
36069-45-1
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Formula:
C29H47NO3
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Chemical Name:
Muldamine
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Synonyms:
Pregn-5-ene-3,16-diol,20-[(2S,5S)-5-methyl-2-piperidinyl]-,16-acetate,(3β,16α,20S)-;16,28-Secosolanid-5-ene-3,16-diol,16-acetate,(3β,16α,22α)-;Teinemine 16-acetate;Muldamine;Alkaloid Q,from Veratrumcalifornicum;Alkaloid Q;11051-63-1
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CAS No:
Characteristics
log Kow = 6.52 (est)
1.0275
210.5°C
564.13°C (rough estimate)
1.6310 (estimate)
In water, 1.7 mg/L at 25 °C (est)
4.23X10-13 mm Hg at 25 °C (est)
15.00±0.70
Henry's Law constant = 2.9X10-11 atm-cu m/mol at 25 °C (est)
Hydroxyl radical reaction rate constant = 2.31X10-10 cu cm/molec-sec at 25 °C (est)
Safety Information
SRP: The most favorable course of action is to use an alternative chemical product with less inherent propensity for occupational exposure or environmental contamination. Recycle any unused portion of the material for its approved use or return it to the manufacturer or supplier. Ultimate disposal of the chemical must consider: the material's impact on air quality; potential migration in soil or water; effects on animal, aquatic, and plant life; and conformance with environmental and public health regulations.
Drug Information
Several species of the Veratrum genus are associated with toxicity in humans and animals. The principal toxins are steroid alkaloids; some have a modified steroid template, whereas others differ in their esterified acid moieties. These alkaloids act by increasing the permeability of the sodium channels of nerve cells, causing them to fire continuously. Increased stimulation, associated with the vagal nerve results in a reflex that causes the triad of responses known as the Bezold-Jarisch reflex: hypotension, bradycardia and apnea. Clinically, various Veratrum extracts were marketed for use as antihypertensive drugs, but because of their narrow therapeutic index were withdrawn from the market. Following the ingestion of Veratrum alkaloids, expected signs and symptoms include vomiting and abdominal pain, followed by cardiovascular effects such as bradycardia, hypotension and cardiac conduction abnormalities and death. Similar symptoms arise in other mammalian species ingesting these alkaloids; teratogenic effects may occur to the fetuses of animals that have grazed on Veratrum californicum. Treatment consists of supportive care, with an emphasis on hemodynamic stability with fluid replacement, atropine and vasopressors. The onset of symptoms occurs between 30 minutes and 4 hours, and the duration of the illness can range from 1 to 10 days; however, with prompt supportive care, patients typically make a full recovery within 24 hours.
5-veratramine-3 beta,11 alpha-diol-11-acetate
Muldamine Use and Manufacturing
Teratogenic compound of Veratrum californicum (Durand) /California false hellebore/|Steroidal alkaloid from Veratrum
Computed Properties
Molecular Weight:457.7
XLogP3:5.7
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:4
Exact Mass:457.35559436
Monoisotopic Mass:457.35559436
Topological Polar Surface Area:58.6
Heavy Atom Count:33
Complexity:794
Defined Atom Stereocenter Count:11
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes