Dihydroergotamine tartrate

bis((6aR,9R,10aR)-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,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide);(2R,3R)-2,3-dihydroxybutanedioic acid

Also Known As: Dihydroergotamine tartrate|Divegal|Divegal (TN)|9,10-Dihydroergotamine tartrate|dihydroergotamine L-tartrate|Dihydroergotamine tartrate (2:1)|dihydroergotamine (R,R)-tartrate|EINECS 227-816-1|9,10-dihydroergotaminetartrate|9,10-dihydroergotamine L-tartrate|Dihydroergotamine (+)-Tartrate Salt (2:1)|9,10-dihydroergotamine (R,R)-tartrate|Dihydroergotamine (+)-tartrate salt|NP0042|DIHYDROERGOTAMINE TARTRATE [WHO-DD]|DIHYDROERGOTAMINE TARTRATE CRYSTALLINE|C33H37N5O5.1/2C4H6O6|Ergotamine, dihydro-, tartrate (2:1)(salt)|Ergotamine, dihydro-, tartrate (2:1) (salt)|C33-H37-N5-O5.1/2C4-H6-O6|(6aR,9R,10aR)-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,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide;(2R,3R)-2,3-dihydroxybutanedioic acid|Bis(5'alpha-benzyl-9,10alpha-dihydro-12'-hydroxy-2'-methylergotaman-3',6',18-trione) (R-(R*,R*))-tartrate|Bis[(10alphaH)-5'alpha-benzyl-12'-hydroxy-2'-methyl-3',6',18-trioxo-9,10-dihydroergotaman] (2R,3R)-2,3-dihydroxybutanedioate|(2R,3R)-2,3-Dihydroxybutanedioic acid--5'alpha-benzyl-12'-hydroxy-2'-methyl-3',6',18-trioxo-10alpha-9,10-dihydroergotaman (1/2)|Bis((10alphaH)-5'alpha-benzyl-12'-hydroxy-2'-methyl-3',6',18-trioxo-9,10-dihydroergotaman) (2R,3R)-2,3-dihydroxybutanedioate|Bis[5'alpha-benzyl-9,10alpha-dihydro-12'-hydroxy-2'-methylergotaman-3',6',18-trione] [R-(R*,R*)]-tartrate|Dihydroergotamine tartrate; Bis[(6aR,9R,10aR)-N-[(2R,5S,10aS,10bS)-5-benzyl-10b-hydroxy-2-methyl-3,6-dioxooctahydro-8H-oxazolo[3,2-a]pyrrolo[2,1-c]pyrazin-2-yl]-7-methyl-4,6,6a,7,8,9,10,10a-octahydroindolo[4,3-fg]quinoline-9-carboxamide] (2R,3R)-2,3-dihydroxybutanedioate|Ergotaman-3',6',18-trione, 9,10-dihydro-12'-hydroxy-2'-methyl-5'-(phenylmethyl)-, (5'.alpha.,10.alpha.)-, [R-(R*,R*)]-2,3-dihydroxybutanedioate (2:1) (salt)|Ergotaman-3',6',18-trione, 9,10-dihydro-12'-hydroxy-2'-methyl-5'-(phenylmethyl)-, (5'alpha,10alpha)-, (2R,3R)-2,3-dihydroxybutanedioate (2:1)|Ergotaman-3',6',18-trione, 9,10-dihydro-12'-hydroxy-2'-methyl-5'-(phenylmethyl)-, (5'alpha,10alpha)-, (2R,3R)-2,3-dihydroxybutanedioate (2:1) (salt)

Molecular Formula	C70H80N10O16
Molecular Weight	1316.5753 g/mol
LogP	2.0396
Topological Polar Surface Area	351.48 Ų
Hydrogen Bond Donors	10
Hydrogen Bond Acceptors	16
Rotatable Bonds	11
Exact Mass	1316.5753
Monoisotopic Mass	1316.5753
Heavy Atoms	96
Complexity	3854.4775

Chemical Identifiers

CAS Number	5989-77-5
SMILES	C[C@@]1(C(=O)N2[C@H](C(=O)N3CCC[C@H]3[C@@]2(O1)O)CC4=CC=CC=C4)NC(=O)[C@@H]5C[C@H]6[C@@H](CC7=CNC8=CC=CC6=C78)N(C5)C.C[C@@]1(C(=O)N2[C@H](C(=O)N3CCC[C@H]3[C@@]2(O1)O)CC4=CC=CC=C4)NC(=O)[C@@H]5C[C@H]6[C@@H](CC7=CNC8=CC=CC6=C78)N(C5)C.[C@@H]([C@H](C(=O)O)O)(C(=O)O)O