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Substance Name: Dihydroergocornine
RN: 25447-65-8
UNII: IK4C1OC8NE
InChIKey: SEALOBQTUQIVGU-QNIJNHAOSA-N

Note

  • A 9,10alpha-dihydro derivative of ERGOTAMINE that contains isopropyl sidechains at the 2' and 5' positions of the molecule.

Molecular Formula

  • C31-H41-N5-O5

Molecular Weight

  • 563.6949
 

Classification Codes

  • Dopamine Agents
  • Dopamine Agonists
  • Neurotransmitter Agents
  • Reproductive Effect
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Names and Synonyms

Name of Substance

  • Dihydroergocornine

MeSH Heading

  • Dihydroergocornine

Synonyms

  • 9,10-Dihydro-12'-hydroxy-2',5'-bis(1-methylethyl)ergotaman-3',6',18-trione (5'alpha,10alpha)-
  • 9,10-Dihydroergocornine
  • D.H.O. 180
  • Dihydroergocornine
  • EINECS 246-992-0
  • UNII-IK4C1OC8NE

Systematic Names

  • Dihydroergocornine
  • Ergocornine, 9,10-dihydro-
  • Ergocornine, dihydro- (7CI)
  • Ergotaman-3',6',18-trione, 9,10-dihydro-12'-hydroxy-2',5'-bis(1-methylethyl)-, (5'alpha,10alpha)-

Registry Numbers

CAS Registry Number

  • 25447-65-8

FDA UNII

  • IK4C1OC8NE

System Generated Number

  • 0025447658

Structure Descriptors

InChI

InChI=1S/C31H41N5O5/c1-16(2)26-28(38)35-11-7-10-24(35)31(40)36(26)29(39)30(41-31,17(3)4)33-27(37)19-12-21-20-8-6-9-22-25(20)18(14-32-22)13-23(21)34(5)15-19/h6,8-9,14,16-17,19,21,23-24,26,32,40H,7,10-13,15H2,1-5H3,(H,33,37)/t19-,21-,23-,24+,26+,30-,31+/m1/s1

InChIKey

SEALOBQTUQIVGU-QNIJNHAOSA-N

Smiles

CC(C)[C@@H]1N2C(=O)[C@](NC(=O)[C@@H]3C[C@H]4[C@@H](Cc5c[nH]c6cccc4c56)N(C)C3)(O[C@@]2(O)[C@@H]7CCCN7C1=O)C(C)C