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Substance Name: Ergovaline
RN: 2873-38-3
UNII: 059E2O9IV4
InChIKey: BGHDUTQZGWOQIA-VQSKNWBGSA-N

Classification Codes

  • Cardiovascular Agents
  • Vasoconstrictor Agents

Molecular Formula

  • C29-H35-N5-O5

Molecular Weight

  • 533.625
 
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Names and Synonyms

Name of Substance

  • Ergovaline

Synonyms

  • 12'-Hydroxy-2'-methyl-5'alpha-(1-methylethyl)-ergotaman-3',6',18-trione
  • Ergovaline
  • UNII-059E2O9IV4

Systematic Name

  • Ergotaman-3',6',18-trione, 12'-hydroxy-2'-methyl-5'-(1-methylethyl)-, (5'alpha)-

Registry Numbers

CAS Registry Number

  • 2873-38-3

FDA UNII

  • 059E2O9IV4

System Generated Number

  • 0002873383

Structure Descriptors

InChI

1S/C29H35N5O5/c1-15(2)24-26(36)33-10-6-9-22(33)29(38)34(24)27(37)28(3,39-29)31-25(35)17-11-19-18-7-5-8-20-23(18)16(13-30-20)12-21(19)32(4)14-17/h5,7-8,11,13,15,17,21-22,24,30,38H,6,9-10,12,14H2,1-4H3,(H,31,35)/t17-,21-,22+,24+,28-,29+/m1/s1

InChIKey

BGHDUTQZGWOQIA-VQSKNWBGSA-N

Smiles

C1N2[C@@H](CC1)[C@@]1(N([C@H](C2=O)C(C)C)C([C@@](NC([C@H]2C[N@@]([C@H]3C(=C2)c2cccc4[nH]cc(c24)C3)C)=O)(C)O1)=O)O