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ergotamine

MNXM17562 is deprecated and here replaced by MNXM731772
!!! Alternative mappings exist !!!
PropertiesImageOccurences in reactions
MNX_IDMNXM731772Image of MNXM731772
#reac
in my sandbox 0
in MNXref (generic)2
in models (compartimentalized) 0
formulaC33H35N5O5
charge0
mass581.26382
referencechebi:64318
InChIKeyXCGSFFUVFURLIX-VFGNJEKYSA-N
InChIInChI=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
SMILESCN1C[C@H](C(=O)N[C@]2(C)O[C@@]3(O)[C@@H]4CCCN4C(=O)[C@H](Cc4ccccc4)N3C2=O)C=C2c3cccc4[nH]cc(c34)C[C@H]21
Parent-child relations graph
Deprecated MNXref IDs graph
Similar chemical compounds in external resources
IdentifierDescription
CHEBI:64318
chebi:64318
ergotamine
(5'alpha)-12'-hydroxy-2'-methyl-5'-(phenylmethyl)ergotoman-3',6',18-trione
(5'alpha)-5'-benzyl-12'-hydroxy-2'-methyl-3',6',18-trioxoergotaman
12'-Hydroxy-2'-methyl-5'alpha-(phenylmethyl)ergotaman-3',6',18-trione
12'-hydroxy-2'-methyl-5'alpha-(phenylmethyl)ergotaman-3',6',18-trione
Ergotamin
Gynergen
ergotamina
ergotaminum
kegg.drug:D07906
keggD:D07906
Ergotamine (INN)
hmdb:HMDB0014834 Ergotamine
(4R,7R)-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]-6-methyl-6,11-diazatetracyclo[7.6.1.0²,⁷.0¹²,¹⁶]hexadeca-1(16),2,9,12,14-pentaene-4-carboxamide
(5'a)-12'-Hydroxy-2'-methyl-5'-(phenylmethyl)ergotoman-3',6',18-trione
(5'alpha)-12'-Hydroxy-2'-methyl-5'-(phenylmethyl)ergotoman-3',6',18-trione
(5'alpha)-12'-hydroxy-2'-methyl-5'-(phenylmethyl)ergotoman-3',6',18-trione
12'-Hydroxy-2'-methyl-5'a-(phenylmethyl)ergotaman-3',6',18-trione
12'-Hydroxy-2'-methyl-5'alpha-(phenylmethyl)ergotaman-3',6',18-trione
Cornutamine
Ergo kranit
Ergo sanol
Ergo-kranit
ErgoKranit
Ergodryl mono
Ergomar
Ergostat
Ergotamin
Ergotamina
Ergotamine tartrate
Ergotamine tartrate (2:1)
Ergotaminine
Ergotaminum
Gynergen
Krewel brand OF ergotamine tartrate
Lingraine
Lotus brand OF ergotamine tartrate
Pfizer brand OF ergotamine tartrate
Sanofi winthrop brand OF ergotamine tartrate
Tartrate, ergotamine
ergomar
mono, Ergodryl
seed.compound:cpd04714
seedM:cpd04714
Ergotamine
ergopeptine
ergotamin
ergotamine
metacyc.compound:CPD-12363
metacycM:CPD-12363
ergotamine
ergopeptine
ergotamin
hmdb:HMDB14834
keggD:M_D07906
seedM:M_cpd04714
secondary/obsolete/fantasy identifier