Ergotaman-3′,6′,18-trione, 12′-hydroxy-2′-(1-methylethyl)-5′-(phenylmethyl)-, (5′α)-, methanesulfonate (salt)
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Ergotaman-3′,6′,18-trione, 12′-hydroxy-2′-(1-methylethyl)-5′-(phenylmethyl)-, (5′α)-, methanesulfonate (salt)
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CAS No:
57884-92-1
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Formula:
C35H39N5O5.xCH4O3S
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Chemical Name:
Ergotaman-3′,6′,18-trione, 12′-hydroxy-2′-(1-methylethyl)-5′-(phenylmethyl)-, (5′α)-, methanesulfonate (salt)
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Synonyms:
Ergotaman-3′,6′,18-trione,12′-hydroxy-2′-(1-methylethyl)-5′-(phenylmethyl)-,(5′α)-,methanesulfonate (salt);Indolo[4,3-fg]quinoline,ergotaman-3′,6′,18-trione deriv.;8H-Oxazolo[3,2-a]pyrrolo[2,1-c]pyrazine,ergotaman-3′,6′,18-trione deriv.
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CAS No:
Ergotaman-3′,6′,18-trione, 12′-hydroxy-2′-(1-methylethyl)-5′-(phenylmethyl)-, (5′α)-, methanesulfonate (salt) Basic Attributes
687.80504
687.273
261-004-8
Computed Properties
Molecular Weight:705.8
Hydrogen Bond Donor Count:4
Hydrogen Bond Acceptor Count:9
Rotatable Bond Count:5
Exact Mass:705.28323452
Monoisotopic Mass:705.28323452
Topological Polar Surface Area:181
Heavy Atom Count:50
Complexity:1360
Defined Atom Stereocenter Count:6
Covalently-Bonded Unit Count:2
Compound Is Canonicalized:Yes
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Ergotaman-3′,6′,18-trione, 12′-hydroxy-2′-(1-methylethyl)-5′-(phenylmethyl)-, (5′α), phosphate (salt)
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Ergotaman-3′,6′,18-trione, 12′-hydroxy-2′-(1-methylethyl)-5′-(2-methylpropyl)-, (5′α)-, phosphate (salt) Formula
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2-Naphthalenesulfonic acid, 7-((4,6-bis(4-(2-aminoethyl)-1-piperazinyl)-1,3,5-triazin-2-yl)amino)-3-((4-((4-((6-((4,6-bis(4-(2-aminoethyl)-1-piperazinyl)-1,3,5-triazin-2-yl)amino)-1-hydroxy-3-sulfo-2-naphthalenyl)azo)benzoyl)amino)phenyl)azo)-4-hydroxy-, formate (salt) methanesulfonate (salt) Formula
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Ergotaman-3′,6′,18-trione, 12′-hydroxy-2′-methyl-5′-(phenylmethyl)-, (5′α)-, (2Z)-2-butenedioate (1:1) (salt) Structure
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Ergotaman-3′,6′,18-trione, 9,10-dihydro-12′-hydroxy-2′-[(1S)-1-methylethyl]-5′-(1-methylpropyl)-, (5′α,10α)-, monomethanesulfonate (salt) Structure
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What is Ergotaman-3′,6′,18-trione, 9,10-dihydro-12′-hydroxy-2′,5′-bis(1-methylethyl)-, (5′α,10α)-, methanesulfonate (1:1)
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Ergotaman-3′,6′,18-trione, 12′-hydroxy-2′-(1-methylethyl)-5′-(phenylmethyl)-, (5′α)-, methanesulfonate (salt)
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