INTERMEDINE
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INTERMEDINE
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CAS No:
10285-06-0
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Formula:
C15H25NO5
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Chemical Name:
INTERMEDINE
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Synonyms:
INTERMIDINE;(1R)-2,3,5,7aβ-Tetrahydro-7-[[(2S,3R)-2-isopropyl-2,3-dihydroxybutyryl]oxymethyl]-1H-pyrrolizine-1-ol;(2S,3R)-2,3-Dihydroxy-2-isopropylbutanoic acid [[(5R,6R)-6-hydroxy-1-azabicyclo[3.3.0]oct-3-en-4-yl]methyl] ester;9-(+)-Trachelanthylretronecine;C10330;Butanoic acid, 2,3-dihydroxy-2-(1-methylethyl)-, [(1R,7aR)-2,3,5,7a-tetrahydro-1-hydroxy-1H-pyrrolizin-7-yl]methyl ester, (2S,3R)-;(+)-Intermedine;Intermedine-RM
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CAS No:
Description
Intermedine is a carboxylic ester compound formed from condensation between retronecine and (2S,3R)-2,3-dihydroxy-2-isopropylbutanoic acid. It is a member of pyrrolizines, an azabicycloalkane and a carboxylic ester.
Characteristics
90.23000
-0.38940
1.26±0.1 g/cm3(Predicted)
140-141 °C
463.3±45.0 °C(Predicted)
234ºC
1.567
1.57E-10mmHg at 25°C
12.59±0.29(Predicted)
INTERMEDINE Use and Manufacturing
Intermedine-D7 is a labelled analogue of Intermedine (I666660). Intermedine is an unsaturated monoester pyrrolizidine alkaloid that is extracted from the seeds of Amsinckia intermedia, a tarweed that causes enzootic hepatic cirrhosis in horses and hard liver disease in cattle. Intermedine is also a diastereomer of Lycopsamine (L487525), a pyrrolizidine alkaloid that is found in honey and in comfrey (a topical anti-inflammatory agent used to treat patients with arthritis and gout).
Computed Properties
Molecular Weight:299.36
XLogP3:-0.4
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:6
Exact Mass:299.17327290
Monoisotopic Mass:299.17327290
Topological Polar Surface Area:90.2
Heavy Atom Count:21
Complexity:436
Defined Atom Stereocenter Count:4
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes