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
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. Formula | C24H29N3O6 |
|---|---|
| Mol. Weight | 456 |
别名和识别编码
| Chemical Name | Ergoline-8-carboxamide,9,10-didehydro-N-(1-(hydroxymethyl)propyl)-6-methyl-,(8-beta-(S))-, (Z)-2-butenedioate (1:1) (salt) |
|---|---|
| CAS Number | 57432-61-8 |
| 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 ID | 24278543 |
| EC Number | 260-734-4 |
| MDL Number | MFCD00078588 |
| Chemical Name Translation | |
| Wiswesser Line Notation | T 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
- 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
- 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。
- 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）；
- 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
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