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Substance Name: Ergocornine methanesulfonate
RN: 2706-67-4
UNII: 11AJD95BKH
InChIKey: JSSWJSBXBKEBMS-JDFJKJGNSA-N

Molecular Formula

  • C31-H39-N5-O5.C-H4-O3-S

Molecular Weight

  • 657.7847
 
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Names and Synonyms

Results Name

  • Ergocornine methanesulfonate

Name of Substance

  • Ergocornine mesylate

Synonyms

  • EINECS 220-296-7
  • Ergocornine methanesulfonate
  • UNII-11AJD95BKH

Systematic Name

  • 12'-Hydroxy-2',5'alpha-diisopropylergotaman-3',6',18-trione monomethanesulphonate

Registry Numbers

CAS Registry Number

  • 2706-67-4

FDA UNII

  • 11AJD95BKH

System Generated Number

  • 0002706674

Molecular Formulas

Molecular Formula

  • C31-H39-N5-O5.C-H4-O3-S

Molecular Formula Fragments

  • C-H4-O3-S
  • C31-H39-N5-O5
  • COMPONENT

Structure Descriptors

InChI

1S/C31H39N5O5.CH4O3S/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;1-5(2,3)4/h6,8-9,12,14,16-17,19,23-24,26,32,40H,7,10-11,13,15H2,1-5H3,(H,33,37);1H3,(H,2,3,4)/t19-,23-,24+,26-,30-,31+;/m1./s1

InChIKey

JSSWJSBXBKEBMS-JDFJKJGNSA-N

Smiles

CC(C)[C@@H]1C(=O)N2CCC[C@H]2[C@]3(N1C(=O)[C@](O3)(C(C)C)NC(=O)[C@H]4CN([C@@H]5Cc6c[nH]c7c6c(ccc7)C5=C4)C)O.CS(=O)(=O)O