| SpectraBase Spectrum ID |
BUp3DGSRLJx |
| Name |
Ergoline-8-carboxylic acid, 6-[[(1-oxobutyl)amino]thioxomethyl]-, methyl ester, (8.beta.)- |
| Alternate Name(s) |
D-6-butanoylaminothiocarbonylergoline
Indolo[4,3-fg]quinoline, ergoline-8-carboxylic acid deriv.
Methyl (8beta)-6-[(butyrylamino)carbothioyl]ergoline-8-carboxylate |
| CAS Registry Number |
74345-53-2 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C21H25N3O3S |
| InChI |
InChI=1S/C21H25N3O3S/c1-3-5-18(25)23-21(28)24-11-13(20(26)27-2)8-15-14-6-4-7-16-19(14)12(10-22-16)9-17(15)24/h4,6-7,10,13,15,17,22H,3,5,8-9,11H2,1-2H3,(H,23,25,28)/t13-,15?,17-/m1/s1 |
| InChIKey |
HIJJZZKSWZPIBT-GWHNWCKOSA-N |
| Molecular Weight |
399.509 g/mol |
| SMILES |
N(C(N1[C@@]2(Cc3c[nH]c4cccc(C2C[C@](C1)(C(=O)OC)[H])c34)[H])=S)C(=O)CCC |
| SPLASH |
splash10-00di-3980000000-c3e0c518c03ff0df8f3c |
| Source of Spectrum |
KO-8-15-2 |
| Wiley ID |
1368954 |
![Ergoline-8-carboxylic acid, 6-[[(1-oxobutyl)amino]thioxomethyl]-, methyl ester, (8.beta.)-](/api/spectrum/BUp3DGSRLJx/structure.png?h=300&w=458 "Ergoline-8-carboxylic acid, 6-[[(1-oxobutyl)amino]thioxomethyl]-, methyl ester, (8.beta.)-")
