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| Name |
Ergocorninine methanesulfonate |
EINECS | N/A |
| CAS No. | 74137-65-8 | Density | N/A |
| PSA | 184.45000 | LogP | 3.27900 |
| Solubility | N/A | Melting Point |
N/A |
| Formula | C31H39OS•CH4O3S | Boiling Point | N/A |
| Molecular Weight | 698.01 | Flash Point | N/A |
| Transport Information | N/A | Appearance | N/A |
| Safety | Moderately toxic by intraperitoneal route. When heated to decomposition it emits toxic vapors of SOx. | Risk Codes | N/A |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
Ergotaman-3,6,18-trione, 2,5-bis(1-methylethyl)-12-hydroxy-, (5-alpha,8-alpha)-, monomethanesulfonate (salt); |
Ergocorninine methanesulfonate Chemical Properties
Empirical Formula of Ergocorninine methanesulfonate (CAS NO.74137-65-8): C32H43N5O8S
Molecular Weight: 657.7775
Flash Point: 472.9 °C
Enthalpy of Vaporization: 130.69 kJ/mol
Boiling Point: 858.3 °C at 760 mmHg
Vapour Pressure: 2.18E-31 mmHg at 25 °C
Structure of Ergocorninine methanesulfonate (CAS NO.74137-65-8):
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Canonical SMILES: CC(C)C1C(=O)N2CCCC2C3(N1C(=O)C(O3)(C(C)C)NC(=O)C4CN(C5CC6=CNC7=CC=CC(=C67)C5=C4)C)O.CS(=O)(=O)O
Isomeric SMILES: CC(C)[C@@H]1C(=O)N2CCC[C@H]2[C@]3(N1C(=O)[C@](O3)(C(C)C)NC(=O)[C@H]4CN([C@H]5CC6=CNC7=CC=CC(=C67)C5=C4)C)O.CS(=O)(=O)O
InChI: InChI=1S/C31H39N5O5.CH4O3S/c1-16(2)26-28(38)35-11-7-10-24(35)31(40)36(26)29(39)30(41-31,17(3)4)33-27(37)19-12-21-20-8-6-9-22-25(20)18(14-32-22)13-23(21)34(5)15-19;1-5(2,3)4/h6,8-9,12,14,16-17,19,23-24,26,32,40H,7,10-11,13,15H2,1-5H3,(H,33,37);1H3,(H,2,3,4)/t19-,23+,24+,26-,30-,31+;/m1./s1
InChIKey: JSSWJSBXBKEBMS-YXCCQSEOSA-N
Ergocorninine methanesulfonate Toxicity Data With Reference
| 1. | ipr-mus LD50:>520 mg/kg | BAXXDU British UK Patent Application. (U.S. Patent Office, Science Library, 2021 Jefferson Davis Highway, Arlington, VA 22202) #2025960 . |
Ergocorninine methanesulfonate Safety Profile
Moderately toxic by intraperitoneal route. When heated to decomposition Ergocorninine methanesulfonate (CAS NO.74137-65-8) emits toxic vapors of SOx.
Ergocorninine methanesulfonate Specification
Ergocorninine methanesulfonate , its cas register number is 74137-65-8. It also can be called Ergocornine methanesulfonate (salt) ; and Ergotaman-3',6',18-trione, 2',5'-bis(1-methylethyl)-12'-hydroxy-, (5'-alpha,8-alpha)-, monomethanesulfonate (salt) .
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