Ergotaman-3′,6′,18-trione, 12′-hydroxy-2′-(1-methylethyl)-5′-(2-methylpropyl)-, (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)
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CAS No:
6045-63-2
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Formula:
C32H41N5O5.xH3O4P
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Chemical Name:
Ergotaman-3′,6′,18-trione, 12′-hydroxy-2′-(1-methylethyl)-5′-(2-methylpropyl)-, (5′α)-, phosphate (salt)
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Synonyms:
Ergotaman-3′,6′,18-trione,12′-hydroxy-2′-(1-methylethyl)-5′-(2-methylpropyl)-,(5′α)-,phosphate (salt);Ergocryptine,phosphate (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.;1380-94-5
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CAS No:
Ergotaman-3′,6′,18-trione, 12′-hydroxy-2′-(1-methylethyl)-5′-(2-methylpropyl)-, (5′α)-, phosphate (salt) Basic Attributes
673.704
673.288
227-939-0
Safety Information
P201, P202, P260, P261, P263, P264, P270, P271, P280, P281, P301+P312, P302+P352, P304+P312, P304+P340, P308+P313, P312, P322, P330, P363, P405, P501
H302
Computed Properties
Molecular Weight:673.7
Hydrogen Bond Donor Count:6
Hydrogen Bond Acceptor Count:10
Rotatable Bond Count:5
Exact Mass:673.28766500
Monoisotopic Mass:673.28766500
Topological Polar Surface Area:196
Heavy Atom Count:47
Complexity:1240
Defined Atom Stereocenter Count:6
Covalently-Bonded Unit Count:2
Compound Is Canonicalized:Yes
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