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5'α(S)-sec-butyl-9,10α-dihydro-12'-hydroxy-2'-isopropylergotaman-3',6',18-trione monomethanesulphonate (65914-79-6)

Identification
Name:5'α(S)-sec-butyl-9,10α-dihydro-12'-hydroxy-2'-isopropylergotaman-3',6',18-trione monomethanesulphonate
Synonyms:Dihydro-beta-ergocryptine mesylate;UNII-79Y4U49I29;5'alpha(S)-sec-Butyl-9,10alpha-dihydro-12'-hydroxy-2'-isopropylergotaman-3',6',18-trione monomethanesulphonate;(5'alpha,10alpha)-5'-[(2S)-butan-2-yl]-12'-hydroxy-3',6',18-trioxo-2'-(propan-2-yl)-9,10-dihydroergotaman methanesulfonate (1:1)
CAS:65914-79-6
EINECS: 265-975-9
Molecular Formula: C33H47N5O8S
Molecular Weight: 673.82
InChI: InChI=1/C32H43N5O5.CH4O3S/c1-6-18(4)27-29(39)36-12-8-11-25(36)32(41)37(27)30(40)31(42-32,17(2)3)34-28(38)20-13-22-21-9-7-10-23-26(21)19(15-33-23)14-24(22)35(5)16-20;1-5(2,3)4/h7,9-10,15,17-18,20,22,24-25,27,33,41H,6,8,11-14,16H2,1-5H3,(H,34,38);1H3,(H,2,3,4)/t18?,20-,22-,24-,25+,27+,31-,32+;/m1./s1
Molecular Structure: (C33H47N5O8S) Dihydro-beta-ergocryptine mesylate;UNII-79Y4U49I29;5'alpha(S)-sec-Butyl-9,10alpha-dihydro-12'-hydrox...
Properties
Flash Point: 466.9°C
Boiling Point: 848.4°C at 760 mmHg
Density:g/cm3
Flash Point: 466.9°C
Safety Data
 

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