Vasobral
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Vasobral
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CAS No:
94423-99-1
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Formula:
C41H57N9O10S
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Chemical Name:
Vasobral
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Synonyms:
Vasobral;Vasobral;(5'alpha,10alpha)-9,10-Dihydro-12'-hydroxy-2'-(1-methylethyl)-5'-(2-methylpropyl)ergotaman-3',6',18-trione mixt. with 3,7-dihydro-1,3,7-trimethyl-1H-purine-2,6-dione;94423-99-1;Ergotaman-3',6',18-trione, 9,10-dihydro-12'-hydroxy-2'-(1-methylethyl)-5'-(2-methylpropyl)-, (5'alpha,10alpha)-, monomethanesulfonate (salt), mixt. with 3,7-dihydro-1,3,7-trimethyl-1H-purine-2,6-dione
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CAS No:
Computed Properties
Molecular Weight:868.0
Hydrogen Bond Donor Count:4
Hydrogen Bond Acceptor Count:12
Rotatable Bond Count:5
Exact Mass:867.39491022
Monoisotopic Mass:867.39491022
Topological Polar Surface Area:239
Heavy Atom Count:61
Complexity:1520
Defined Atom Stereocenter Count:7
Covalently-Bonded Unit Count:3
Compound Is Canonicalized:Yes
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