Ergotamine, monomethanesulfonate (1:1) (salt)

CAS 6045-59-6 MFCD06045596

化学结构图

6045-59-6
SMILES: CN1CC(C(=O)NC2(C)OC3(O)C4CCCN4C(=O)C(Cc4ccccc4)N3C2=O)C=C2c3cccc4[nH]cc(c34)CC21.CS(=O)(=O)O

化学属性

Mol. Weight677.84
Mol. FormulaC33H35N5O5.CH4O3S

别名和识别编码

Wiswesser Line NotationT C6656 1A P GM LM CUTT&&J EVM- BT B565 CO EVN HVNTJD1 GY1&1 &WSQ1
Chemical NameErgotamine methanesulfonate
Synonym Ergotamine methansulfonate Ergotamine methanesulfonate Ergotamine, monomethanesulfonate (1:1) (salt)
CAS Number6045-59-6
InChIKeyBTLDVNBXSZELNL-DDLCCZDQSA-N
PubChem Substance ID134630
InChIInChI=1S/C33H35N5O5.CH4O3S/c1-32(35-29(39)21-15-23-22-10-6-11-24-28(22)20(17-34-24)16-25(23)36(2)18-21)31(41)38-26(14-19-8-4-3-5-9-19)30(40)37-13-7-12-27(37)33(38,42)43-32;1-5(2,3)4/h3-6,8-11,15,17,21,25-27,34,42H,7,12-14,16,18H2,1-2H3,(H,35,39);1H3,(H,2,3,4)/t21-,25-,26+,27+,32-,33+;/m1./s1
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安全信息

RTECSKE7650000 
TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - rat
DOSE                    : 10 mg/kg
SEX/DURATION            : female 12-21 day(s) after conception
TOXIC EFFECTS :
   Reproductive - Effects on Newborn - growth statistics (e.g.%, reduced weight
   gain)
REFERENCE :
   AJPHAP American Journal of Physiology.  (American Physiological Soc., 9650
   Rockville Pike, Bethesda, MD 20814)  V.1-    1898- Volume(issue)/page/year:
   180,296,1955

系列性分类

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