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Substance Name: Ergosine methanesulfonate
RN: 2624-03-5
InChIKey: ZXYJWXZEYMJKGE-NRUQAJJTSA-N

Classification Codes

  • Drug / Therapeutic Agent
  • Reproductive Effect

Molecular Formula

  • C30-H37-N5-O5.C-H4-O3-S

Molecular Weight

  • 643.758
 
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Names and Synonyms

Results Name

  • Ergosine methanesulfonate

Synonyms

  • Ergosine methanesulfonate
  • Ergosine monomethanesulfonate

Systematic Name

  • Ergotaman-3',6',18-trione, 12'-hydroxy-2'-methyl-5'-(2-methylpropyl)-, (5'-alpha)-, monomethanesulfonate (salt)

Registry Numbers

CAS Registry Number

  • 2624-03-5

System Generated Number

  • 0002624035

Molecular Formulas

Molecular Formula

  • C30-H37-N5-O5.C-H4-O3-S

Molecular Formula Fragments

  • C-H4-O3-S
  • C30-H37-N5-O5
  • COMPONENT

Structure Descriptors

InChI

1S/C30H37N5O5.CH4O3S/c1-16(2)11-23-27(37)34-10-6-9-24(34)30(39)35(23)28(38)29(3,40-30)32-26(36)18-12-20-19-7-5-8-21-25(19)17(14-31-21)13-22(20)33(4)15-18;1-5(2,3)4/h5,7-8,12,14,16,18,22-24,31,39H,6,9-11,13,15H2,1-4H3,(H,32,36);1H3,(H,2,3,4)/t18-,22-,23+,24+,29-,30+;/m1./s1

InChIKey

ZXYJWXZEYMJKGE-NRUQAJJTSA-N

Smiles

C=1[C@H](C[N@@]([C@@H]2Cc3c4c([nH]c3)cccc4C12)C)C(N[C@]1(C(N2[C@H](C(N3CCC[C@@H]3[C@@]2(O1)O)=O)CC(C)C)=O)C)=O.CS(=O)(=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 206mg/kg (206mg/kg)   British UK Patent Application. Vol. #2025960,