Ergovaline monomethanesulfonate

CAS 3398-46-7 MFCD08273761

化学结构图

3398-46-7
SMILES: CC(C)[C@H]1C(=O)N2CCC[C@H]2[C@]2(O)O[C@@](C)(NC(=O)[C@@H]3C=C4c5cccc6[nH]cc(c56)C[C@H]4N(C)C3)C(=O)N12.O=C(O)[C@H](O)[C@@H](O)C(=O)O

化学属性

Mol. FormulaC29H35N5O5.CH4O3S
Mol. Weight629.80

别名和识别编码

Chemical NameErgovaline, methanesulfonate
Synonym Ergovaline mesylate Ergovaline monomethanesulfonate Ergovaline methanesulphonate
CAS Number3398-46-7
InChIKeyNIQGSXHMSRFNPL-YQSRWRAYSA-N
PubChem Substance ID201198
InChIInChI=1S/C29H35N5O5.CH4O3S/c1-15(2)24-26(36)33-10-6-9-22(33)29(38)34(24)27(37)28(3,39-29)31-25(35)17-11-19-18-7-5-8-20-23(18)16(13-30-20)12-21(19)32(4)14-17;1-5(2,3)4/h5,7-8,11,13,15,17,21-22,24,30,38H,6,9-10,12,14H2,1-4H3,(H,31,35);1H3,(H,2,3,4)/t17-,21-,22+,24+,28-,29+;/m1./s1
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安全信息

RTECSKE9125000 
TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Subcutaneous
SPECIES OBSERVED        : Rodent - rat
DOSE                    : 4725 ug/kg
SEX/DURATION            : female 4 day(s) after conception
TOXIC EFFECTS :
   Reproductive - Fertility - other measures of fertility
REFERENCE :
   JRPFA4 Journal of Reproduction and Fertility.  (Biochemical Soc. Book Depot,
   POB 32, Commerce Way, Colchester, Essex CO2 8HP, UK)  V.1-    1960-
   Volume(issue)/page/year: 10,221,1965

系列性分类

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