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Substance Name: Ergobutine
RN: 82564-35-0
InChIKey: NNUSZQKLCHDFJJ-AGQONSIYSA-N

Molecular Weight

  • 533.625
 
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Names and Synonyms

Results Name

  • Ergobutine

Synonym

  • Ergobutine

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 82564-35-0

System Generated Number

  • 0082564350

Structure Descriptors

InChI

1S/C29H35N5O5/c1-4-21-26(36)33-11-7-10-23(33)29(38)34(21)27(37)28(5-2,39-29)31-25(35)17-12-19-18-8-6-9-20-24(18)16(14-30-20)13-22(19)32(3)15-17/h6,8-9,12,14,17,21-23,30,38H,4-5,7,10-11,13,15H2,1-3H3,(H,31,35)/t17-,21-,22-,23+,28-,29+/m1/s1

InChIKey

NNUSZQKLCHDFJJ-AGQONSIYSA-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)CC)=O