CAS Number
Molecular Formula
C33H35N5O5
Product format
Neat
Molecular Weight
581.7
Storage
-20°C
Shipping
Frozen (-20°C)
API Family
Synonyms
ERGOTAMINE; Ergotamin; Ergonsvine; Ergotamina; 113-15-5; ergotaminum; 12'-Hydroxy-2'-methyl-5'alpha-(phenylmethyl)ergotaman-3', 6', 18-trione; PR834Q503T; NSC-95090; DTXSID9043774; CHEBI:64318; (5'alpha)-12'-Hydroxy-2'-methyl-5'-(phenylmethyl)ergotoman-3', 6', 18-trione; Ergotaman-3', 6', 18-trione, 12'-hydroxy-2'-methyl-5'-(phenylmethyl)-, (5'-alpha)-; (4R, 7R)-N-[(1S, 2S, 4R, 7S)-7-benzyl-2-hydroxy-4-methyl-5, 8-dioxo-3-oxa-6, 9-diazatricyclo[7.3.0.0^{2, 6}]dodecan-4-yl]-6-methyl-6, 11-diazatetracyclo[7.6.1.0^{2, 7}.0^{12, 16}]hexadeca-1(16), 2, 9, 12, 14-pentaene-4-carboxamide; Ergo Kranit; Mono, Ergodryl; (4R, 7R)-N-((1S, 2S, 4R, 7S)-7-benzyl-2-hydroxy-4-methyl-5, 8-dioxo-3-oxa-6, 9-diazatricyclo(7.3.0.0^(2, 6))dodecan-4-yl)-6-methyl-6, 11-diazatetracyclo(7.6.1.0^(2, 7).0^(12, 16))hexadeca-1(16), 2, 9, 12, 14-pentaene-4-carboxamide; (6aR, 9R)-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; (6aR, 9R)-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:5798
Iupac Name
(6aR, 9R)-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+/m1/s1
