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Substance Name: Ergotamine, tartrate
RN: 24381-56-4
InChIKey: NMTWKEWYQXZGCI-LYOWLMOVSA-N

Molecular Weight

  • 731.7549
 
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Names and Synonyms

Results Name

  • Ergotamine, tartrate

Synonym

  • Ergotamine, tartrate (1:1) salt

Registry Numbers

CAS Registry Number

  • 24381-56-4

System Generated Number

  • 0024381564

Structure Descriptors

InChI

1S/C33H35N5O5.C4H6O6/c1-32(35-29(39)21-15-23-22-10-6-11-24-28(22)20(17-34-24)16-25(23)36(2)18-21)31(41)38-26(14-19-8-4-3-5-9-19)30(40)37-13-7-12-27(37)33(38,42)43-32;5-1(3(7)8)2(6)4(9)10/h3-6,8-11,15,17,21,25-27,34,42H,7,12-14,16,18H2,1-2H3,(H,35,39);1-2,5-6H,(H,7,8)(H,9,10)/t21-,25-,26+,27+,32-,33+;1-,2-/m11/s1

InChIKey

NMTWKEWYQXZGCI-LYOWLMOVSA-N

Smiles

N12[C@@]([C@H]3N(C(=O)[C@@H]1Cc1ccccc1)CCC3)(O[C@](C2=O)(NC([C@@H]1C=C2c3c4c(c[nH]c4ccc3)C[C@H]2[N@@](C1)C)=O)C)O.C([C@@H]([C@H](C(O)=O)O)O)(O)=O