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CAS 17479-19-5

:

Dihydroergocristine

Description:
Dihydroergocristine, also known as dihydroergocristin, is an alkaloid derived from the ergot fungus, specifically from the ergotamine family. It is characterized by its complex tetracyclic structure, which includes a fused ring system that contributes to its biological activity. This compound is primarily recognized for its vasodilatory properties, making it useful in treating conditions related to impaired blood flow, such as peripheral vascular diseases. Dihydroergocristine acts as an antagonist at certain serotonin receptors and has been noted for its potential neuroprotective effects. It is typically administered in the form of its hydrochloride salt for therapeutic purposes. The substance is relatively stable under standard conditions but should be stored in a cool, dry place to maintain its efficacy. As with many alkaloids, it may exhibit side effects, and its use should be monitored by healthcare professionals. Overall, dihydroergocristine is a significant compound in pharmacology, particularly in the context of vascular health and neurological applications.
Formula:C35H41N5O5
InChI:InChI=1S/C35H41N5O5/c1-20(2)34(37-31(41)23-16-25-24-11-7-12-26-30(24)22(18-36-26)17-27(25)38(3)19-23)33(43)40-28(15-21-9-5-4-6-10-21)32(42)39-14-8-13-29(39)35(40,44)45-34/h4-7,9-12,18,20,23,25,27-29,36,44H,8,13-17,19H2,1-3H3,(H,37,41)/t23-,25-,27-,28+,29+,34-,35+/m1/s1
InChI key:InChIKey=DEQITUUQPICUMR-HJPBWRTMSA-N
SMILES:O[C@@]12N([C@@H](CC3=CC=CC=C3)C(=O)N4[C@]1(CCC4)[H])C(=O)[C@@](NC(=O)[C@@H]5C[C@@]6(C=7C=8C(C[C@]6(N(C)C5)[H])=CNC8C=CC7)[H])(C(C)C)O2
Synonyms:
  • (5'A,10A)-5'-Benzyl-12'-Hydroxy-3',6',18-Trioxo-2'-(Propan-2-Yl)-9,10-Dihydroergotaman
  • (5'Alpha,10Alpha)-5'-Benzyl-12'-Hydroxy-3',6',18-Trioxo-2'-(Propan-2-Yl)-9,10-Dihydroergotaman
  • (5'a,10a)-9,10-Dihydro-12'-hydroxy-2'-(1-methylethyl)-5'-(phenylmethyl)erotaman-3',6',18-trione
  • (5'alpha,10alpha)-5'-Benzyl-12'-hydroxy-2'-isopropyl-3',6',18-trioxo-9,10-dihydroergotaman
  • (5′α,10α)-9,10-Dihydro-12′-hydroxy-2′-(1-methylethyl)-5′-(phenylmethyl)ergotaman-3′,6′,18-trione
  • 17479-19-5
  • 8H-Oxazolo[3,2-a]pyrrolo[2,1-c]pyrazine, ergotaman-3′,6′,18-trione deriv.
  • 9,10-Dihydroergocristine
  • Dihydroergocristin
  • Ergocristine, 9,10-dihydro-
  • See more synonyms
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