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′-(phenylmethyl)-, (5′α), phosphate (salt)
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CAS No:
6424-36-8
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Formula:
C35H39N5O5.xH3O4P
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Chemical Name:
Ergotaman-3′,6′,18-trione, 12′-hydroxy-2′-(1-methylethyl)-5′-(phenylmethyl)-, (5′α), phosphate (salt)
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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.
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CAS No:
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
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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Ergotaman-3′,6′,18-trione, 12′-hydroxy-2′-(1-methylethyl)-5′-(phenylmethyl)-, (5′α), phosphate (salt)
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