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Substance Name: Ergometrine [INN:BAN]
RN: 60-79-7
UNII: WH41D8433D
InChIKey: WVVSZNPYNCNODU-XTQGRXLLSA-N
Note
- An ergot alkaloid (ERGOT ALKALOIDS) with uterine and vascular smooth muscle contractile properties.
Molecular Formula
- C19-H23-N3-O2
Molecular Weight
- 325.4097
- All
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- Registry Numbers
- Structure Descriptors
- Toxicity
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Classification Codes
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- Natural Product
- Oxytocics
- Reproductive Control Agents
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Names and Synonyms
Name of Substance
- Ergometrine [INN:BAN]
- Ergonovine
MeSH Heading
- Ergonovine
Synonyms
- 9,10-Didehydro-N-(2-hydroxy-1-methylethyl)-6-methylergoline-8beta(S)-carboxamide
- 9,10-Didehydro-N-(alpha-(hydroxymethyl)ethyl)-6-methylergoline-8-beta-carboxamide
- Basergin
- D-Lysergic acid 1-hydroxymethylethylamide
- D-Lysergic acid-L-propanolamide
- EINECS 200-485-0
- Ergobasine
- Ergoklinine
- Ergometrin
- Ergometrina
- Ergometrina [INN-Spanish]
- Ergometrine
- Ergometrinum
- Ergometrinum [INN-Latin]
- Ergonovine
- Ergostetrine
- Ergotocine
- HSDB 4075
- L-Lysergic-L(beta-hydroxyisopropylamide)
- Lysergamide, N-((S)-2-hydroxy-1-methylethyl)-
- Lysergic acid propanolamide
- Margonovine
- N-(1-(Hydroxymethyl)ethyl)-D-lysergamide
- N-(2-Hydroxy-1-methylethyl)-D(+)-lysergamide
- N-(alpha-(Hydroxymethyl)ethyl)-D-lysergamide
- Neofemergen
- Secacornin
- Secometrin
- UNII-WH41D8433D
Systematic Names
- Ergoline-8-beta-carboxamide, 9,10-didehydro-N-((S)-2-hydroxy-1-methylethyl)-6-methyl-
- Ergoline-8-carboxamide, 9,10-didehydro-N-(2-hydroxy-1-methylethyl)-6-methyl-, (8beta(S))-
- Ergometrine
Registry Numbers
CAS Registry Number
- 60-79-7
FDA UNII
- WH41D8433D
Other Registry Numbers
- 11002-48-5
- 78207-83-7
System Generated Number
- 0000060797
Structure Descriptors
InChI
1S/C19H23N3O2/c1-11(10-23)21-19(24)13-6-15-14-4-3-5-16-18(14)12(8-20-16)7-17(15)22(2)9-13/h3-6,8,11,13,17,20,23H,7,9-10H2,1-2H3,(H,21,24)/t11-,13+,17+/m0/s1InChIKey
WVVSZNPYNCNODU-XTQGRXLLSA-NSmiles
C[C@@H](CO)Toxicity
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| chicken | LD | intramuscular | > 10gm/kg (10000mg/kg) | LUNGS, THORAX, OR RESPIRATION: CYANOSIS | Comptes Rendus des Seances de la Societe de Biologie et de Ses Filiales. Vol. 119, Pg. 1302, 1935. |
| guinea pig | LDLo | intravenous | 80mg/kg (80mg/kg) | "Drug Dosages in Laboratory Animals - A Handbook," Rev. ed., Barnes, C.D., and L.G. Eltherington, Berkeley, Univ. of California Press, 1973Vol. -, Pg. 107, 1973. | |
| infant | TDLo | intramuscular | 93mg/kg (93mg/kg) | LUNGS, THORAX, OR RESPIRATION: RESPIRATORY DEPRESSION BEHAVIORAL: CHANGES IN MOTOR ACTIVITY (SPECIFIC ASSAY) | South African Medical Journal. Vol. 46, Pg. 2052, 1972. |
| infant | TDLo | intramuscular | 138mg/kg (138mg/kg) | BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD LUNGS, THORAX, OR RESPIRATION: CYANOSIS | Archives of Disease in Childhood. Vol. 55, Pg. 68, 1980. |
| infant | TDLo | unreported | 176ug/kg (0.176mg/kg) | BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD LUNGS, THORAX, OR RESPIRATION: RESPIRATORY DEPRESSION | Journal of Obstetrics and Gynaecology of the British Commonwealth. Vol. 79, Pg. 764, 1972. |
| mouse | LD50 | intravenous | 144mg/kg (144mg/kg) | BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD BEHAVIORAL: EXCITEMENT | Journal of Pharmacology and Experimental Therapeutics. Vol. 105, Pg. 130, 1952. |
| mouse | LD50 | unreported | 144mg/kg (144mg/kg) | Archives Internationales de Pharmacodynamie et de Therapie. Vol. 98, Pg. 335, 1954. | |
| rabbit | LDLo | intravenous | 6mg/kg (6mg/kg) | Handbuch der Experimentellen Pharmakologie. Vol. 6, Pg. 180, 1938. | |
| rat | LDLo | subcutaneous | 500mg/kg (500mg/kg) | BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD LUNGS, THORAX, OR RESPIRATION: RESPIRATORY STIMULATION | Comptes Rendus des Seances de la Societe de Biologie et de Ses Filiales. Vol. 119, Pg. 1302, 1935. |
Physical Properties
| Physical Property | Value | Units | Temp (deg C) | Source |
|---|---|---|---|---|
| Melting Point | 162 | deg C | EXP | |
| pKa Dissociation Constant | 6.8 | (none) | EXP | |
| log P (octanol-water) | 0.520 | (none) | EST | |
| Atmospheric OH Rate Constant | 4.13E-10 | cm3/molecule-sec | 25 | EST |
Physical property data is provided to ChemIDplus by SRC, Inc.