CAS Number
Molecular Formula
C33H35N5O5
Product format
Neat
Molecular Weight
581.7
Storage
-20°C
Shipping
Room Temperature
API Family
Synonyms
Ergotaminine; 639-81-6; Isoergotamine; 8A16V7W7F9; DTXSID40980817; (6aR, 9S)-N-[(1S, 2S, 4R, 7S)-7-benzyl-2-hydroxy-4-methyl-5, 8-dioxo-3-oxa-6, 9-diazatricyclo[7.3.0.02, 6]dodecan-4-yl]-7-methyl-6, 6a, 8, 9-tetrahydro-4H-indolo[4, 3-fg]quinoline-9-carboxamide; Ergotaman-3', 6', 18-trione, 12'-hydroxy-2'-methyl-5'-(phenylmethyl)-, (5'alpha, 8alpha)-; (6aR, 9S)-N-((1S, 2S, 4R, 7S)-7-benzyl-2-hydroxy-4-methyl-5, 8-dioxo-3-oxa-6, 9-diazatricyclo(7.3.0.02, 6)dodecan-4-yl)-7-methyl-6, 6a, 8, 9-tetrahydro-4H-indolo(4 and 3-fg)quinoline-9-carboxamide; RefChem:591075; DTXCID501408090; Ergotaminine (100 mg) (List Chemical); Cornutamine; UNII-8A16V7W7F9; ERGOTAMININE [MI]; ERGOTAMININE [USP-RS]; SCHEMBL453882; orb2813869; XCGSFFUVFURLIX-BRMNWJGKSA-N; Ergotaminine dried down 25 microg/mL; Ergotamine EP Impurity B (Free Base)
Iupac Name
(6aR, 9S)-N-[(1S, 2S, 4R, 7S)-7-benzyl-2-hydroxy-4-methyl-5, 8-dioxo-3-oxa-6, 9-diazatricyclo[7.3.0.02, 6]dodecan-4-yl]-7-methyl-6, 6a, 8, 9-tetrahydro-4H-indolo[4 and 3-fg]quinoline-9-carboxamide
InChI
InChI=1S/C33H35N5O5/c1-32(35-29(39)21-15-23-22-10-6-11-24-28(22)20(17-34-24)16-25(23)36(2)18-21)31(41)38-26(14-19-8-4-3-5-9-19)30(40)37-13-7-12-27(37)33(38,42)43-32/h3-6,8-11,15,17,21,25-27,34,42H,7,12-14,16,18H2,1-2H3,(H,35,39)/t21-,25+,26-,27-,32+,33-/m0/s1
