| SpectraBase Spectrum ID |
4TkfOfNQZGn |
| Name |
(5r,8r,10r)-8-(methylthiomethyl)ergoline-6-carboxamidine acetate |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C19H26N4O2S |
| InChI |
InChI=1S/C17H22N4S.C2H4O2/c1-22-9-10-5-13-12-3-2-4-14-16(12)11(7-20-14)6-15(13)21(8-10)17(18)19;1-2(3)4/h2-4,7,10,13,15,20H,5-6,8-9H2,1H3,(H3,18,19);1H3,(H,3,4)/t10-,13-,15-;/m1./s1 |
| InChIKey |
GVJYVZBIQXRBBH-BJUUEFAVSA-N |
| Molecular Weight |
374.503 g/mol |
| SMILES |
OC(=O)C.[nH]1c2cccc3[C@@]4([C@](N(C(=N)N)C[C@@](C4)(CSC)[H])(Cc(c23)c1)[H])[H] |
| SPLASH |
splash10-02t9-0009000000-4e3ca47de115d0522600 |
| Source of Spectrum |
H-68-1031-7 |
| Synonyms |
(8beta)-8-[(methylsulfanyl)methyl]ergoline-6-carboximidamide acetate |
| Wiley ID |
1356551 |
