Cafergot
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Cafergot
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CAS No:
69063-86-1
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Formula:
C33H35N5O5.C8H10N4O2.1/2C4H6O6
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Chemical Name:
Cafergot
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Synonyms:
Ergotaman-3′,6′,18-trione,12′-hydroxy-2′-methyl-5′-(phenylmethyl)-,(5′α)-,(2R,3R)-2,3-dihydroxybutanedioate (2:1),mixt. with 3,7-dihydro-1,3,7-trimethyl-1H-purine-2,6-dione;Ergotaman-3′,6′,18-trione,12′-hydroxy-2′-methyl-5′-(phenylmethyl)-,(5′α)-,[R-(R*,R*)]-2,3-dihydroxybutanedioate (2:1) (salt),mixt. with 3,7-dihydro-1,3,7-trimethyl-1H-purine-2,6-dione;Ergotaman-3′,6′,18-trione,12′-hydroxy-2′-methyl-5′-(phenylmethyl)-,(5′α)-,(2R,3R)-2,3-dihydroxybutanedioate (2:1) (salt),mixt. with 3,7-dihydro-1,3,7-trimethyl-1H-purine-2,6-dione;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.;1H-Purine-2,6-dione,3,7-dihydro-1,3,7-trimethyl-,mixt. contg.;Cafergot;Cafergamine;Secadol
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CAS No:
Cafergot Use and Manufacturing
Human Drugs -> FDA Approved Drug Products with Therapeutic Equivalence Evaluations (Orange Book) -> Active Ingredients
Computed Properties
Molecular Weight:909.9
Hydrogen Bond Donor Count:6
Hydrogen Bond Acceptor Count:14
Rotatable Bond Count:7
Exact Mass:909.36571810
Monoisotopic Mass:909.36571810
Topological Polar Surface Area:272
Heavy Atom Count:66
Complexity:1600
Defined Atom Stereocenter Count:6
Undefined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:3
Compound Is Canonicalized:Yes