Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: beta-Ergosine
RN: 60192-59-8
UNII: RP84B07RAB
InChIKey: KJILSMAJKRVRFV-RBBOJWASSA-N

Molecular Formula

  • C30-H37-N5-O5

Molecular Weight

  • 547.6523
 
* denotes mobile formatted website

Links to Resources

NLM Resources (File Locators)

Other Resources (Internet Locators)


Search for this InChIKey on the Web

Names and Synonyms

Name of Substance

  • beta-Ergosine

Synonym

  • UNII-RP84B07RAB

Systematic Names

  • beta-Ergosine
  • Ergotaman-3',6',18-trione, 12'-hydroxy-2'-methyl-5'-(1-methylpropyl)-, (5'-alpha(S))- (9CI)

Registry Numbers

CAS Registry Number

  • 60192-59-8

FDA UNII

  • RP84B07RAB

System Generated Number

  • 0060192598

Structure Descriptors

InChI

1S/C30H37N5O5/c1-5-16(2)25-27(37)34-11-7-10-23(34)30(39)35(25)28(38)29(3,40-30)32-26(36)18-12-20-19-8-6-9-21-24(19)17(14-31-21)13-22(20)33(4)15-18/h6,8-9,12,14,16,18,22-23,25,31,39H,5,7,10-11,13,15H2,1-4H3,(H,32,36)/t16-,18+,22+,23-,25-,29+,30-/m0/s1

InChIKey

KJILSMAJKRVRFV-RBBOJWASSA-N

Smiles

CC[C@H](C)[C@@H]1N2C(=O)[C@](C)(NC(=O)[C@H]3CN(C)[C@@H]4Cc5c[nH]c6cccc(C4=C3)c56)O[C@@]2(O)[C@@H]7CCCN7C1=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rabbit LD50 intravenous 90mg/kg (90mg/kg)   Experientia. Vol. 33, Pg. 1552, 1977.