Ergocornine methanesulfonate (salt) supplier

Name
12'-hydroxy-2',5'alpha-diisopropylergotaman-3',6',18-trione methanesulphonate
EINECS 218-625-4
CAS No. 2207-69-4
Density
Solubility
Melting Point
Formula C₃₁H₃₉N₅O₅•xCH₄O₃S
Boiling Point
Molecular Weight 1234.52
Flash Point
Transport Information
Appearance
Safety Experimental teratogenic and reproductive effects. When heated to decomposition it emits very toxic fumes such as SO_x and NO_x.
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 12-Hydroxy-2,5alpha-diisopropylergotaman-3,6,18-trione methanesulphonate;Ergotaman-3,6,18-trione, 12-hydroxy-2,5-bis(1-methylethyl)-, (5-alpha)-, methanesulfonate (salt);Ergocornine methanesulphonate;Ergocornine mesylate;
PSA
LogP

Ergocornine methanesulfonate (salt) Chemical Properties

Molecule structure of Ergocornine methanesulfonate (salt) (CAS NO.2207-69-4) :

Molecular Weight: 657.77752 g/mol
Molecular Formula: C₃₂H₄₃N₅O₈S
Boiling Point: 962.7 °C at 760 mmHg
Flash Point: 536 °C
Enthalpy of Vaporization: 146.87 kJ/mol
H-Bond Donor: 4
H-Bond Acceptor: 9
Rotatable Bond Count: 4
Tautomer Count: 2
Exact Mass: 657.283234
MonoIsotopic Mass: 657.283234
Topological Polar Surface Area: 173
Heavy Atom Count: 46
Complexity: 1270
Defined Atom StereoCenter Count: 6
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-JDFJKJGNSA-N
EINECS of Ergocornine methanesulfonate (salt) (CAS NO.2207-69-4) : 218-625-4

Ergocornine methanesulfonate (salt) Safety Profile

Experimental teratogenic and reproductive effects. When heated to decomposition it emits very toxic fumes such as SO_x and NO_x.
RIDADR: 1544
HazardClass: 6.1(b)
PackingGroup: III

Ergocornine methanesulfonate (salt) Specification

Ergocornine methanesulfonate (salt) (CAS NO.2207-69-4) is also called Ergocornine mesylate ; Ergocornine methanesulphonate ;12'-Hydroxy-2',5'alpha-diisopropylergotaman-3',6',18-trione methanesulphonate ; Ergotaman-3',6',18-trione, 12'-hydroxy-2',5'-bis(1-methylethyl)-, (5'-alpha)-, methanesulfonate (salt) .

Product Name

12'-hydroxy-2',5'alpha-diisopropylergotaman-3',6',18-trione methanesulphonate

Ergocornine methanesulfonate (salt) Chemical Properties

Ergocornine methanesulfonate (salt) Safety Profile

Ergocornine methanesulfonate (salt) Specification

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