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

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

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

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

structure
  • CAS No:

    6424-36-8

  • Formula:

    C35H39N5O5.xH3O4P

  • Chemical Name:

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

  • Synonyms:

    Ergotaman-3′,6′,18-trione,12′-hydroxy-2′-(1-methylethyl)-5′-(phenylmethyl)-,(5′α),phosphate (salt);Ergocristine phosphate;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), phosphate (salt) Basic Attributes

689.694561

689.261

229-182-1

F5A82G33MC

Characteristics

165

-0.4

Safety Information

P261, P264, P270, P271, P280, P301+P310, P302+P352, P304+P340, P311, P312, P321, P322, P330, P361, P363, P403+P233, P405, P501

H301

Computed Properties

Molecular Weight:707.7
Hydrogen Bond Donor Count:6
Hydrogen Bond Acceptor Count:10
Rotatable Bond Count:5
Exact Mass:707.27201493
Monoisotopic Mass:707.27201493
Topological Polar Surface Area:196
Heavy Atom Count:50
Complexity:1320
Defined Atom Stereocenter Count:6
Covalently-Bonded Unit Count:2
Compound Is Canonicalized:Yes

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