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Substance Name: Ergobutyrine
RN: 82564-36-1
InChIKey: LWEABIUVMWANJF-UMRLHMAQSA-N

Molecular Weight

  • 547.652
 
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Names and Synonyms

Results Name

  • Ergobutyrine

Synonym

  • Ergobutyrine

Systematic Name

  • Ergotaman-3',6',18-trione, 5'-ethyl-12'-hydroxy-2'-(1-methylethyl)-, (5'alpha)-

Registry Numbers

CAS Registry Number

  • 82564-36-1

System Generated Number

  • 0082564361

Structure Descriptors

InChI

1S/C30H37N5O5/c1-5-22-27(37)34-11-7-10-24(34)30(39)35(22)28(38)29(40-30,16(2)3)32-26(36)18-12-20-19-8-6-9-21-25(19)17(14-31-21)13-23(20)33(4)15-18/h6,8-9,12,14,16,18,22-24,31,39H,5,7,10-11,13,15H2,1-4H3,(H,32,36)/t18-,22-,23-,24+,29-,30+/m1/s1

InChIKey

LWEABIUVMWANJF-UMRLHMAQSA-N

Smiles

C1=C2c3cccc4[nH]cc(c34)C[C@H]2[N@@](C)C[C@@H]1C(N[C@]1(C(N2[C@@H](C(N3CCC[C@@H]3[C@@]2(O1)O)=O)CC)=O)C(C)C)=O