Basic Information | Post buying leads | Suppliers |
Name |
Ergocryptinine methanesulfonate |
EINECS | N/A |
CAS No. | 74137-66-9 | Density | N/A |
PSA | N/A | LogP | N/A |
Solubility | N/A | Melting Point |
N/A |
Formula | C32H41N5O5•CH4O3S | Boiling Point | N/A |
Molecular Weight | 671.89 | 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 NOx and SOx. | Risk Codes | N/A |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
Ergotaman-3,6,18-trione, 12-hydroxy-2-(1-methylethyl)-5-(2-methylpropyl)-, (5-alpha,8-alpha)-, monomethanesulfonate (salt); |
Empirical Formula: C33H45N5O8S
Molecular Weight: 671.8041g/mol
Structure of Ergocryptinine methanesulfonate (CAS NO.74137-66-9):
Flash Point: 475 °C Enthalpy of
Vaporization: 131.21 kJ/mol
Boiling Point: 861.7 °C at 760 mmHg
Vapour Pressure: 1.16E-31 mmHg at 25°C
Canonical SMILES: CC(C)CC1C(=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[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/C32H41N5O5.CH4O3S/c1-17(2)12-25-29(39)36-11-7-10-26(36)32(41)37(25)30(40)31(42-32,
18(3)4)34-28(38)20-13-22-21-8-6-9-23-27(21)19(15-33-23)14-24(22)35(5)16-20;1-5(2,3)4/h6,8-9,13,15,17-18,20,24-26,33,41H,7,10-12,14,16H2,1-5H3,(H,34,38);1H3,(H,2,3,4)/t20-,24+,25-,26+,31-,32+;/m1./s1
InChIKey: LVANISFDPWIHDR-ACLSRZDHSA-N
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 . |
Moderately toxic by intraperitoneal route. When heated to decomposition it emits toxic vapors of NOx and SOx.
Ergocryptinine methanesulfonate , its cas register number is 74137-66-9. It also can be called Ergotaman-3',6',18-trione, 12'-hydroxy-2'-(1-methylethyl)-5'-(2-methylpropyl)-, (5'-alpha,8-alpha)-, monomethanesulfonate (salt) . When heated to decomposition it emits toxic vapors of NOx and SOx.