Ergotamine, monomethanesulfonate (1:1) (salt)
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Ergotamine, monomethanesulfonate (1:1) (salt)
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CAS No:
6045-59-6
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Formula:
C34H39N5O8S
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Chemical Name:
Ergotamine, monomethanesulfonate (1:1) (salt)
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Synonyms:
6045-59-6;Ergotamine methansulfonate;Ergotamine methanesulfonate;Ergotamine, monomethanesulfonate (1:1) (salt);SCHEMBL10590921;DTXSID10975851;Ergotaman-3',6',18-trione, 12'-hydroxy-2'-methyl-5'-(phenylmethyl)-, (5'-alpha)-, monomethanesulfonate (salt);N-(5-Benzyl-10b-hydroxy-2-methyl-3,6-dioxooctahydro-8H-[1,3]oxazolo[3,2-a]pyrrolo[2,1-c]pyrazin-2-yl)-6-methyl-9,10-didehydroergoline-8-carboximidic acid--methanesulfonic acid (1/1)
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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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