Ergotaminine methanesulfonate
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Ergotaminine methanesulfonate
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CAS No:
74137-68-1
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Formula:
C33H35N5O5.CH4O3S
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Chemical Name:
Ergotaminine methanesulfonate
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Synonyms:
Ergotaminine methanesulfonate;Ergotaman-3",6",18-trione, 12"-hydroxy-2"-methyl-5"-(phenylmethyl)-, (5"-alpha,8-alpha)-, monomethanesulfonate (salt)
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CAS No:
Computed Properties
Molecular Weight:677.8
Hydrogen Bond Donor Count:4
Hydrogen Bond Acceptor Count:9
Rotatable Bond Count:4
Exact Mass:677.25193439
Monoisotopic Mass:677.25193439
Topological Polar Surface Area:181
Heavy Atom Count:48
Complexity:1310
Defined Atom Stereocenter Count:6
Covalently-Bonded Unit Count:2
Compound Is Canonicalized:Yes
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