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Substance Name: Dihydergot plus
RN: 81643-69-8
InChIKey: XNUFRHJXPHDYMK-HNJCMJCCSA-N

Note

  • Used in therapy of orthostatic disturbance & hypotension.

Molecular Weight

  • 875.051
 
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Names and Synonyms

Name of Substance

  • Dihydergot plus

Systematic Name

  • Ergotaman-3',6',18-trione, 9,10-dihydro-12'-hydroxy-2'-methyl-5'-(phenylmethyl)-, (5'alpha,10alpha)-, monomethanesulfonate (salt), mixt. with (R)-alpha-((ethylmethylamino)methyl)-3-hydroxybenzenemethanol

Registry Numbers

CAS Registry Number

  • 81643-69-8

System Generated Number

  • 0081643698

Structure Descriptors

InChI

1S/C33H37N5O5.C11H17NO2.CH4O3S/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;1-3-12(2)8-11(14)9-5-4-6-10(13)7-9;1-5(2,3)4/h3-6,8-11,17,21,23,25-27,34,42H,7,12-16,18H2,1-2H3,(H,35,39);4-7,11,13-14H,3,8H2,1-2H3;1H3,(H,2,3,4)/t21-,23-,25-,26+,27+,32-,33+;11-;/m10./s1

InChIKey

XNUFRHJXPHDYMK-HNJCMJCCSA-N

Smiles

c1(cc(ccc1)O)[C@H](C[N@@](C)CC)O.C1CC[C@@H]2N1C(=O)[C@H](Cc1ccccc1)N1[C@@]2(O)O[C@@](C1=O)(NC(=O)[C@H]1C[N@@]([C@@H]2Cc3c4c(cccc4[C@@H]2C1)[nH]c3)C)C.OS(=O)(=O)C