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Substance Name: Dihydroergotoxine, raubasine drug combination
RN: 96743-85-0
InChIKey: XURQZIBTFJHPOR-QJPWSZLZSA-N

Note

  • Combination of raubasine & dihydroergotoxine used therapeutically in otoneurologic ischemias.

Molecular Weight

  • 964.17
 
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Names and Synonyms

Name of Substance

  • Dihydroergotoxine, raubasine drug combination

Synonym

  • PF 50

Systematic Name

  • Oxayohimban-16-carboxylic acid, 16,17-didehydro-19-methyl-, methyl ester, (19alpha)-, mixt. with (5'alpha,10alpha)-9,10-dihydro-12'-hydroxy-2'-(1-methylethyl)-5'-(phenylmethyl)ergotaman-3',6',18-trione

Registry Numbers

CAS Registry Number

  • 96743-85-0

System Generated Number

  • 0096743850

Structure Descriptors

InChI

1S/C35H41N5O5.C21H24N2O3/c1-20(2)34(37-31(41)23-16-25-24-11-7-12-26-30(24)22(18-36-26)17-27(25)38(3)19-23)33(43)40-28(15-21-9-5-4-6-10-21)32(42)39-14-8-13-29(39)35(40,44)45-34;1-12-16-10-23-8-7-14-13-5-3-4-6-18(13)22-20(14)19(23)9-15(16)17(11-26-12)21(24)25-2/h4-7,9-12,18,20,23,25,27-29,36,44H,8,13-17,19H2,1-3H3,(H,37,41);3-6,11-12,15-16,19,22H,7-10H2,1-2H3/t23-,25-,27-,28+,29+,34-,35+;12-,15-,16+,19-/m10/s1

InChIKey

XURQZIBTFJHPOR-QJPWSZLZSA-N

Smiles

C1CC[C@H]2[C@@]3(N(C([C@@](O3)(NC([C@H]3C[N@@]([C@@H]4Cc5c6c(cccc6[C@@H]4C3)[nH]c5)C)=O)C(C)C)=O)[C@H](C(N12)=O)Cc1ccccc1)O.C(=O)(OC)C1=CO[C@H]([C@@H]2[C@@H]1C[C@@H]1[N@@](C2)CCc2c3c([nH]c12)cccc3)C