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Substance Name: Dihydroergotoxine
RN: 11032-41-0
UNII: 34HPE9Z8IP
InChIKey: QHZUABXEBRGBLP-LKWYKXIFSA-N

Note

  • A mixture of three different hydrogenated derivatives of ERGOTAMINE: DIHYDROERGOCORNINE; DIHYDROERGOCRISTINE; and DIHYDROERGOCRYPTINE. Dihydroergotoxine has been proposed to be a neuroprotective agent and a nootropic agent. The mechanism of its therapeutic actions is not clear, but it can act as an alpha-adrenergic antagonist and a dopamine agonist. The methanesulfonate salts of this mixture of alkaloids are called ERGOLOID MESYLATES.

Molecular Weight

  • 2038.508
 

Classification Codes

  • Adrenergic Agents
  • Adrenergic alpha-Antagonists
  • Adrenergic Antagonists
  • Dopamine Agents
  • Dopamine Agonists
  • Neurotransmitter Agents
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Names and Synonyms

Results Name

  • Dihydroergotoxine

Name of Substance

  • Dihydroergotoxine
  • Ergoloid dihydroergotoxine

MeSH Heading

  • Dihydroergotoxine

Synonyms

  • Dihydroergotoxin
  • Dihydroergotoxine
  • UNII-34HPE9Z8IP

Systematic Name

  • Ergotoxine, dihydro-

Registry Numbers

CAS Registry Number

  • 11032-41-0

FDA UNII

  • 34HPE9Z8IP

System Generated Number

  • 0011032410

Structure Descriptors

InChI

1S/C36H42N4O5.C33H44N4O5.C32H42N4O5.3CH4O3S/c1-20(2)35(38-33(42)23-16-25-24-11-7-12-27-30(24)22(18-37-27)17-28(25)39(3)19-23)32(41)31-26(15-21-9-5-4-6-10-21)34(43)40-14-8-13-29(40)36(31,44)45-35;1-17(2)12-23-28-29(38)32(18(3)4,42-33(28,41)26-10-7-11-37(26)31(23)40)35-30(39)20-13-22-21-8-6-9-24-27(21)19(15-34-24)14-25(22)36(5)16-20;1-16(2)25-27-28(37)31(17(3)4,41-32(27,40)24-10-7-11-36(24)30(25)39)34-29(38)19-12-21-20-8-6-9-22-26(20)18(14-33-22)13-23(21)35(5)15-19;3*1-5(2,3)4/h4-7,9-12,18,20,23,25-26,28-29,31,37,44H,8,13-17,19H2,1-3H3,(H,38,42);6,8-9,15,17-18,20,22-23,25-26,28,34,41H,7,10-14,16H2,1-5H3,(H,35,39);6,8-9,14,16-17,19,21,23-25,27,33,40H,7,10-13,15H2,1-5H3,(H,34,38);3*1H3,(H,2,3,4)/t23-,25-,26-,28-,29+,31?,35-,36+;20?,22-,23+,25-,26?,28?,32+,33-;19-,21-,23-,24+,25-,27?,31-,32+;;;/m111.../s1

InChIKey

QHZUABXEBRGBLP-LKWYKXIFSA-N

Smiles

c1(ccccc1)C[C@@H]1C2[C@]([C@H]3N(CCC3)C1=O)(O[C@@](C2=O)([C@H](C)C)NC(=O)[C@@H]1C[C@H]2[C@H](N(C1)C)Cc1c[nH]c3c1c2ccc3)O.C[C@H]([C@@H]1C2[C@]([C@H]3N(CCC3)C1=O)(O[C@@](C2=O)([C@H](C)C)NC(=O)[C@@H]1C[C@H]2[C@H](N(C1)C)Cc1c[nH]c3c1c2ccc3)O)C.N(C(=O)C1C[C@H]2[C@H](N(C1)C)Cc1c[nH]c3c1c2ccc3)[C@@]1(C(=O)C2[C@@](C3N(CCC3)C(=O)[C@H]2CC(C)C)(O1)O)C(C)C.S(=O)(=O)(O)C.S(=O)(=O)(O)C.S(=O)(=O)(O)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 subcutaneous 71mg/kg (71mg/kg)   Russian Pharmacology and Toxicology Vol. 31, Pg. 53, 1968.