12'-hydroxy-2',5'a-diisopropylergotaman-3',6',18-trione methanesulphonate
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Product Description
Product
12'-hydroxy-2',5'a-diisopropylergotaman-3',6',18-trione methanesulphonate
CAS
2207-69-4
Formula
C32H41N5O7S; C31H39N5O5.xCH4O3S
Synonym
12'-Hydroxy-2',5'a-bis(1-methylethyl)ergotaman-3',6',18-trione/methanesulfonic acid,(1:x); 12'-hydroxy-2',5'alpha-diisopropylergotaman-3',6',18-trione methanesulphonate; Einecs 218-625-4; Ergocornine mesylate; ergocornine methanesulfonate; Ergocornine methanesulfonate (salt); Ergocornine methanesulphonate; Ergotaman-3',6',18-trione, 12'-hydroxy-2',5'-bis(1-methylethyl)-, (5'-alpha)-, methanesulfonate (salt)
Typical Product Specifications
Molecular weight
639.76
EINECS
218-625-4
SMILES
C=1[C@H](C[N@@]([C@@H]2Cc3c4c([nH]c3)cccc4C12)C)C(N[C@]1(C(N2[C@@H](C(N3CCC[C@@H]3[C@@]2(O1)O)=O)C(C)C)=O)C(C)C)=O.CS(=O)(=O)O
InChI
JSSWJSBXBKEBMS-JDFJKJGNSA-N
InChIKey
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)
Class
12'-hydroxy-2',5'a-diisopropylergotaman-3',6',18-trione methanesulphonate
Product Description
Product
12'-hydroxy-2',5'a-diisopropylergotaman-3',6',18-trione methanesulphonate
CAS
2207-69-4
Formula
C32H41N5O7S; C31H39N5O5.xCH4O3S
Synonym
12'-Hydroxy-2',5'a-bis(1-methylethyl)ergotaman-3',6',18-trione/methanesulfonic acid,(1:x); 12'-hydroxy-2',5'alpha-diisopropylergotaman-3',6',18-trione methanesulphonate; Einecs 218-625-4; Ergocornine mesylate; ergocornine methanesulfonate; Ergocornine methanesulfonate (salt); Ergocornine methanesulphonate; Ergotaman-3',6',18-trione, 12'-hydroxy-2',5'-bis(1-methylethyl)-, (5'-alpha)-, methanesulfonate (salt)
Typical Product Specifications
Molecular weight
639.76
EINECS
218-625-4
SMILES
C=1[C@H](C[N@@]([C@@H]2Cc3c4c([nH]c3)cccc4C12)C)C(N[C@]1(C(N2[C@@H](C(N3CCC[C@@H]3[C@@]2(O1)O)=O)C(C)C)=O)C(C)C)=O.CS(=O)(=O)O
InChI
JSSWJSBXBKEBMS-JDFJKJGNSA-N
InChIKey
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)
Class
