Products 113-15-5

CAS 113-15-5 is the registry number for Ergotamine. Offered by: ZABRONIONE. Available pack sizes: All package sizes.

Ergotamine
ZABRONIONE
  • size: All package sizes
  • Variants: 1
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Ergotamine is a peptide ergot alkaloid that is dihydroergotamine in which a double bond replaces the single bond between positions 9 and 10. It has a role as a mycotoxin, a non-narcotic analgesic, an alpha-adrenergic agonist, a serotonergic agonist, an oxytocic and a vasoconstrictor agent. It is a conjugate base of an ergotamine(1+).

Source: ChEBI

Identity
Molecular formulaC33H35N5O5
Molecular weight581.7 g/mol
IUPAC name(6aR,9R)-N-[(1S,2S,4R,7S)-7-benzyl-2-hydroxy-4-methyl-5,8-dioxo-3-oxa-6,9-diazatricyclo[7.3.0.02,6]dodecan-4-yl]-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide
InChIKeyXCGSFFUVFURLIX-VFGNJEKYSA-N
SMILESC[C@@]1(C(=O)N2[C@H](C(=O)N3CCC[C@H]3[C@@]2(O1)O)CC4=CC=CC=C4)NC(=O)[C@H]5CN([C@@H]6CC7=CNC8=CC=CC(=C78)C6=C5)C

Computed by PubChem (NCBI)

Synonyms: ERGOTAMINE, Ergotamin, Ergonsvine, Ergotamina, ergotaminum, 12'-Hydroxy-2'-methyl-5'alpha-(phenylmethyl)ergotaman-3',6',18-trione, (5'alpha)-12'-Hydroxy-2'-methyl-5'-(phenylmethyl)ergotoman-3',6',18-trione, Ergotaman-3',6',18-trione, 12'-hydroxy-2'-methyl-5'-(phenylmethyl)-, (5'-alpha)-, Ergo Kranit, Mono, Ergodryl
Related forms of this compound
(6aR,9S)-N-[(1S,2S,4R,7S)-7-benzyl-2-hydroxy-4-methyl-5,8-dioxo-3-oxa-6,9-diazatricyclo[7.3.0.02,6]dodecan-4-yl]-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide C33H35N5O5
Isomers (same molecular formula)
methyl 1-acetyl-2-hydroxy-3-[N-[4-[methyl-[2-(4-methylpiperazin-1-yl)acetyl]amino]phenyl]-C-phenylcarbonimidoyl]indole-6-carboxylate C33H35N5O5