Ergoline-8-carboxamide,9,10-didehydro-N-(1-(hydroxymethyl)propyl)-6-methyl-,(8-beta-(S))-, (Z)-2-butenedioate (1:1) (salt)

CAS 57432-61-8 MFCD00078588

化学结构图

57432-61-8
SMILES: CC[C@@H](CO)NC(=O)[C@H]1CN(C)[C@@H]2CC3=CNC4C=CC=C(C2=C1)C=43.OC(=O)/C=C\C(O)=O

化学属性

Mol. FormulaC24H29N3O6
Mol. Weight456

别名和识别编码

Chemical NameErgoline-8-carboxamide,9,10-didehydro-N-(1-(hydroxymethyl)propyl)-6-methyl-,(8-beta-(S))-, (Z)-2-butenedioate (1:1) (salt)
CAS Number57432-61-8
Synonym Metenarin Erezingen N-[?-(Hydroxymethyl)propyl]-D-lysergamide Maleate Ergonovine, methyl-, maleate (1:1) USAF uctl-8 Methylergonovine maleate salt Methylergometrine maleate Methylergonovine maleate Erezin (8?)-9,10-Didehydro-N-[(1S)-1-(hydroxymethyl)propyl]-6-methyl-ergoline-8-carbox-amide Maleate Basofortina Methergin Methylergobasine maleate Methergine Maleic acid, methyl ergonovine
PubChem Substance ID24278543
EC Number260-734-4
MDL NumberMFCD00078588
Chemical Name Translation
Wiswesser Line NotationT C6656 1A P GN LM CUTT&&J EVMY2&1Q G1 &OV1U1VO 2
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分类

  • Metabolites & Impurities
  • Pharmaceuticals
  • Intermediates & Fine Chemicals,
  • {SNA} Approved Therapeutics/Drug Candidates, Bioactive Small Molecules, Cell Biology, Cell Signaling and Neuroscience, Ergot Alkaloids, M, Neurobiology, Neuroscience, Novartis, Pharmacologicals

产品应用

  • A metabolite of Methysergide. Semisynthetic ergot alkaloid. Oxytocic.

相关文献及参考

  • [2]. Koehler PJ, et al. History of methysergide in migraine. Cephalalgia. 2008 Nov;28(11):1126-35.
  • [3]. Tfelt-Hansen P, et al. Methylergometrine antagonizes 5 HT in the temporal artery. Eur J Clin Pharmacol. 1987;33(1):77-9.
  • Mueller, L., et al.: Headache, 37, 437 (1997),
  • [1]. Meneghetti F, et al. Crystallographic and NMR Investigation of Ergometrine and Methylergometrine, Two Alkaloids from Claviceps purpurea. Molecules. 2020 Jan 14;25(2). pii: E331.
  • [1]. Meneghetti F, et al. Crystallographic and NMR Investigation of Ergometrine and Methylergometrine, Two Alkaloids from Claviceps purpurea. Molecules. 2020 Jan 14;25(2). pii: E331.
  • [2]. Koehler PJ, et al. History of methysergide in migraine. Cephalalgia. 2008 Nov;28(11):1126-35.
  • [3]. Tfelt-Hansen P, et al. Methylergometrine antagonizes 5 HT in the temporal artery. Eur J Clin Pharmacol. 1987;33(1):77-9.
  • de Groot, A.N., et al.: Drugs, 56, 523 (1998),

安全信息

GHS Symbol
WGK Germany3
Hazard statements
  • H361 Suspected of damaging fertility or the unborn child 怀疑对生育能力或未出生婴儿造成伤害
  • H331 Toxic if inhaled 吸入中毒
  • H311 Toxic in contact with skin 皮肤接触中毒
  • H301 Toxic if swallowed 吞食有毒
Personal Protective Equipment Eyeshields, Faceshields, full-face particle respirator type N100 (US), Gloves, respirator cartridge type N100 (US), type P1 (EN143) respirator filter, type P3 (EN 143) respirator cartridges
RTECSKE5500000
Precautionary statements
  • P301+P310
  • P261 Avoid breathing dust/fume/gas/mist/vapours/spray. 避免吸入粉尘/烟/气体/烟雾/蒸汽/喷雾。
  • P280 Wear protective gloves/protective clothing/eye protection/face protection. 戴防护手套/防护服/眼睛的保护物/面部保护物。
  • P311 Call a POISON CENTER or doctor/physician. 呼叫解毒中心或医生/医师。
Signal word Danger
Safety Statements
  • S36/37/39 Wear suitable protective clothing, gloves and eye/face protection 穿戴适当的防护服、手套和眼睛/面保护;
  • S45 In case of accident or if you feel unwell seek medical advice immediately (show the label where possible) 发生事故时或感觉不适时,立即求医(可能时出示标签);
Hazard Codes T
Risk Statements
  • R62 Possible risk of impaired fertility 有削弱生殖能力的危险
  • R23/24/25 Toxic by inhalation, in contact with skin and if swallowed 吸入,皮肤接触及吞食都有毒
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 6 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   NTIS** National Technical Information Service.  (Springfield, VA 22161)
   Formerly U.S. Clearinghouse for Scientific & Technical Information.
   Volume(issue)/page/year: AD277-689

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intravenous
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 85 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than letha

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intravenous
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 23 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   NIIRDN Drugs in Japan (Ethical Drugs).  (Yakugyo Jiho Co., Ltd., Tokyo,
   Japan)  Volume(issue)/page/year: 6,828,1982

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 187 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   NIIRDN Drugs in Japan (Ethical Drugs).  (Yakugyo Jiho Co., Ltd., Tokyo,
   Japan)  Volume(issue)/page/year: 6,828,1982

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intravenous
SPECIES OBSERVED        : Rodent - rabbit
DOSE/DURATION           : 2600 ug/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   NIIRDN Drugs in Japan (Ethical Drugs).  (Yakugyo Jiho Co., Ltd., Tokyo,
   Japan)  Volume(issue)/page/year: 6,828,1982

TYPE OF TEST            : Sister chromatid exchange
TEST SYSTEM             : Rodent - hamster Ovary
DOSE/DURATION           : 10 nmol/L
REFERENCE :
   TCMUD8 Teratogenesis, Carcinogenesis, and Mutagenesis.  (Alan R. Liss, Inc.,
   41 E. 11th St., New York, NY 10003)  V.1-    1980- Volume(issue)/page/year:
   8,169,1988

TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Intramuscular
SPECIES OBSERVED        : Human - woman
DOSE                    : 4 ug/kg
SEX/DURATION            : female 36 week(s) after conception
TOXIC EFFECTS :
   Reproductive - Maternal Effects - uterus, cervix, vagina
   Reproductive - Specific Developmental Abnormalities - cardiovascular
   (circulatory) system
REFERENCE :
   JRPMAP Journal of Reproductive Medicine.  (2 Jacklynn Ct., St. Louis, MO
   63132)  V.3-    1969-  Volume(issue)/page/year: 33,771,1988

系列性分类


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