Ergotaman-3',6',18-trione, 12'-hydroxy-2'-methyl-5'-(2-methylpropyl)-, (5'-alpha)-, monomethanesulfonate (salt)
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Ergotaman-3',6',18-trione, 12'-hydroxy-2'-methyl-5'-(2-methylpropyl)-, (5'-alpha)-, monomethanesulfonate (salt)
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CAS No:
2624-03-5
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Formula:
C31H41N5O8S
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Chemical Name:
Ergotaman-3',6',18-trione, 12'-hydroxy-2'-methyl-5'-(2-methylpropyl)-, (5'-alpha)-, monomethanesulfonate (salt)
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Synonyms:
2624-03-5;Ergosine methanesulfonate;Ergosine monomethanesulfonate;SCHEMBL11085207;DTXSID20949104;Ergotaman-3',6',18-trione, 12'-hydroxy-2'-methyl-5'-(2-methylpropyl)-, (5'-alpha)-, monomethanesulfonate (salt);N-[10b-Hydroxy-2-methyl-5-(2-methylpropyl)-3,6-dioxooctahydro-8H-[1,3]oxazolo[3,2-a]pyrrolo[2,1-c]pyrazin-2-yl]-6-methyl-9,10-didehydroergoline-8-carboximidic acid--methanesulfonic acid (1/1)
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CAS No:
Ergotaman-3',6',18-trione, 12'-hydroxy-2'-methyl-5'-(2-methylpropyl)-, (5'-alpha)-, monomethanesulfonate (salt) Basic Attributes
643.8 g/mol
643.26758446 g/mol
Computed Properties
Molecular Weight:643.8
Hydrogen Bond Donor Count:4
Hydrogen Bond Acceptor Count:9
Rotatable Bond Count:4
Exact Mass:643.26758446
Monoisotopic Mass:643.26758446
Topological Polar Surface Area:181
Heavy Atom Count:45
Complexity:1240
Defined Atom Stereocenter Count:6
Covalently-Bonded Unit Count:2
Compound Is Canonicalized:Yes
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