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| CAS No.: | 60-79-7 |
|---|---|
| Name: | ERGONOVINE |
| Article Data: | 11 |
| Molecular Structure: | |
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| Formula: | C19H23N3O2 |
| Molecular Weight: | 325.411 |
| Synonyms: | Ergoline-8b-carboxamide,9,10-didehydro-N-((S)-2-hydroxy-1-methylethyl)-6-methyl- (8CI);Lysergamide,N-[(S)-2-hydroxy-1-methylethyl]- (6CI);D-Lysergic acid-L-propanolamide;9,10-Didehydro-N-(alpha-(hydroxymethyl)ethyl)-6-methylergoline-8-beta-carboxamide;L-Lysergic-L(beta-hydroxyisopropylamide);9,10-Didehydro-N-(2-hydroxy-1-methylethyl)-6-methylergoline-8beta(S)-carboxamide;N-(1-(Hydroxymethyl)ethyl)-D-lysergamide;N-(2-Hydroxy-1-methylethyl)-D(+)-lysergamide;Ergobasine;D-Lysergic acid 1-hydroxymethylethylamide;Secacornin;(8β)-N-[(2S)-1-Hydroxypropan-2-yl]-6-methyl-9,10-didehydroergoline-8-carboxamide; |
| EINECS: | 200-485-0 |
| Density: | 1.3 g/cm3 |
| Melting Point: | 162° |
| Boiling Point: | 635.2 °C at 760 mmHg |
| Flash Point: | 337.9 °C |
| Solubility: | >394g/L(25 oC) |
| Appearance: | solid |
| Hazard Symbols: |
 T
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| Risk Codes: | 23/24/25 |
| Safety: | 36/37/39-45 |
| PSA: | 68.36000 |
| LogP: | 1.86340 |
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This product is a nationally controlled contraband, and the Lookchem platform doesn't provide relevant sales information.
Specification
The D-Lysergic acid-l,2-propanolamide with CAS registry number of 60-79-7 is also known as Ergonovine. The systematic name is (8β)-N-[(2S)-1-Hydroxypropan-2-yl]-6-methyl-9,10-didehydroergoline-8-carboxamide. Its EINECS registry number is 200-485-0. In addition, the formula is C19H23N3O2 and the molecular weight is 325.45. This chemical is a white fine crystal, which is used as a uterine stimulant. What's more, it is prepared by fermentation.
Physical properties about D-Lysergic acid-l,2-propanolamide are: (1)ACD/LogP: 1.14; (2)ACD/LogD (pH 5.5): -0.99; (3)ACD/LogD (pH 7.4): 0.68; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1.51; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 34.49; (8)#H bond acceptors: 5; (9)#H bond donors: 3; (10)#Freely Rotating Bonds: 4; (11)Index of Refraction: 1.678; (12)Molar Refractivity: 93.87 cm3; (13)Molar Volume: 248.9 cm3; (14)Surface Tension: 64 dyne/cm; (15)Density: 1.3 g/cm3; (16)Flash Point: 337.9 °C; (17)Enthalpy of Vaporization: 98.66 kJ/mol; (18)Boiling Point: 635.2 °C at 760 mmHg; (19)Vapour Pressure: 5.27E-17 mmHg at 25 °C.
When you are using this chemical, please be cautious about it. As a chemical, it is toxic by inhalation, in contact with skin and if swallowed. During using it, wear suitable protective clothing, gloves and eye/face protection. In case of accident or if you feel unwell seek medical advice immediately.
You can still convert the following datas into molecular structure:
1. SMILES: O=C(N[C@@H](C)CO)[C@@H]3/C=C2/c4cccc1c4c(cn1)C[C@H]2N(C3)C
2. InChI: InChI=1/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/s1
3. InChIKey: WVVSZNPYNCNODU-XTQGRXLLBY
4. Std. InChI: 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/s1
5. Std. InChIKey: WVVSZNPYNCNODU-XTQGRXLLSA-N
The toxicity data is as follows:
| 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) | BEHAVIORAL: CHANGES IN MOTOR ACTIVITY (SPECIFIC ASSAY) LUNGS, THORAX, OR RESPIRATION: RESPIRATORY DEPRESSION | 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. |