2-hydroxypropyl 1-isopropyl-6-methylergoline-8β-carboxylate maleate (Q27257041)

2-Hydroxypropyl 1-isopropyl-6-methylergoline-8beta-carboxylate maleate (English)

14 October 2016

chemical formula

C₂₆H₃₄N₂O₇

1 reference

2-Hydroxypropyl 1-isopropyl-6-methylergoline-8beta-carboxylate maleate (English)

14 October 2016

canonical SMILES

CC(C)N1C=C2CC3C(CC(CN3C)C(=O)OCC(C)O)C4=C2C1=CC=C4.C(=CC(=O)O)C(=O)O

1 reference

2-Hydroxypropyl 1-isopropyl-6-methylergoline-8beta-carboxylate maleate (English)

14 October 2016

isomeric SMILES

CC(C)N1C=C2C[C@@H]3[C@H](C[C@H](CN3C)C(=O)OCC(C)O)C4=C2C1=CC=C4.C(=C\C(=O)O)\C(=O)O

1 reference

2-Hydroxypropyl 1-isopropyl-6-methylergoline-8beta-carboxylate maleate (English)

InChI=1S/C22H30N2O3.C4H4O4/c1-13(2)24-11-15-9-20-18(17-6-5-7-19(24)21(15)17)8-16(10-23(20)4)22(26)27-12-14(3)25;5-3(6)1-2-4(7)8/h5-7,11,13-14,16,18,20,25H,8-10,12H2,1-4H3;1-2H,(H,5,6)(H,7,8)/b;2-1-/t14?,16-,18-,20-;/m1./s1

14 October 2016

Identifiers

InChI

1 reference

2-Hydroxypropyl 1-isopropyl-6-methylergoline-8beta-carboxylate maleate (English)

LULOXHOIAKAESP-BSPDQKPESA-N

14 October 2016

InChIKey

1 reference

Global Substance Registration System

2-Hydroxypropyl 1-isopropyl-6-methylergoline-8beta-carboxylate maleate (English)

14 October 2016

1 reference

UNII

3CU0T4BPEK

2-hydroxypropyl 1-isopropyl-6-methylergoline-8β-carboxylate maleate (English)

14 October 2016

1 reference

2-Hydroxypropyl (8beta)-1-isopropyl-6-methylergoline-8-carboxylate (2Z)-2-butenedioate (1:1) (English)

14 October 2016

2 references

2-Hydroxypropyl 1-isopropyl-6-methylergoline-8beta-carboxylate maleate (English)

matched by identifier from

14 October 2016

InChIKey

LULOXHOIAKAESP-BSPDQKPESA-N

1 reference

2 references

Global Substance Registration System

UNII

3CU0T4BPEK

2-hydroxypropyl 1-isopropyl-6-methylergoline-8β-carboxylate maleate (English)