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Home > Encyclopedia > Ergotaman-3′,6′,18-trione, 12′-hydroxy-2′-(1-methylethyl)-5′-(phenylmethyl)-, (5′α)-, methanesulfonate (salt)

Ergotaman-3′,6′,18-trione, 12′-hydroxy-2′-(1-methylethyl)-5′-(phenylmethyl)-, (5′α)-, methanesulfonate (salt)

Ergotaman-3′,6′,18-trione, 12′-hydroxy-2′-(1-methylethyl)-5′-(phenylmethyl)-, (5′α)-, methanesulfonate (salt) structure

Ergotaman-3′,6′,18-trione, 12′-hydroxy-2′-(1-methylethyl)-5′-(phenylmethyl)-, (5′α)-, methanesulfonate (salt) 

structure
  • CAS No:

    57884-92-1

  • Formula:

    C35H39N5O5.xCH4O3S

  • Chemical Name:

    Ergotaman-3′,6′,18-trione, 12′-hydroxy-2′-(1-methylethyl)-5′-(phenylmethyl)-, (5′α)-, methanesulfonate (salt)

  • 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.

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

Characteristics

150

3.1

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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