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dihydroergotamine

Properties

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Occurences in reactions

MNX_ID

MNXM726227

	#reac
in my sandbox	0
in MNXref (generic)	0
in models (compartimentalized)	0

formula

C₃₃H₃₇N₅O₅

charge

mass

583.27947

reference

chebi:4562

InChIKey

LUZRJRNZXALNLM-JGRZULCMSA-N

InChI

InChI=1S/C33H37N5O5/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/h3-6,8-11,17,21,23,25-27,34,42H,7,12-16,18H2,1-2H3,(H,35,39)/t21-,23-,25-,26+,27+,32-,33+/m1/s1

SMILES

CN1C[C@H](C(=O)N[C@]2(C)O[C@@]3(O)[C@@H]4CCCN4C(=O)[C@H](Cc4ccccc4)N3C2=O)C[C@@H]2c3cccc4[nH]cc(c34)C[C@H]21

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:4562 chebi:4562	dihydroergotamine (10alphaH)-5'alpha-benzyl-12'-hydroxy-2'-methyl-3',6',18-trioxo-9,10-dihydroergotaman 5'-benzyl-12'-hydroxy-2'-methyl-3',6',18-trioxo-9,10-dihydroergotaman 9,10-dihydro-12'-hydroxy-2'-methyl-5'-(phenylmethyl)ergotoman-3',6',18-trione 9,10-dihydroergotamine Dihydroergotamine dihidroergotamina dihydroergotaminum
kegg.compound:C07798 keggC:C07798	Dihydroergotamine
kegg.drug:D07837 keggD:D07837	Dihydroergotamine (INN) Neomigran (TN)
hmdb:HMDB0014465	Dihydroergotamine (2R,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),9,12,14-tetraene-4-carboxamide 5'-Benzyl-12'-hydroxy-2'-methyl-3',6',18-trioxo-9,10-dihydroergotaman 9,10-Dihydro-12'-hydroxy-2'-methyl-5'-(phenylmethyl)ergotoman-3',6',18-trione 9,10-Dihydro-ergotamine 9,10-Dihydroergotamine Agit Aliud brand OF dihydroergotamine mesylate Alpharma brand OF dihydroergotamine mesylate Angionorm Anto brand OF dihydroergotamine mesylate CT Arzneimittel brand OF dihydroergotamine mesylate CT-Arzneimittel brand OF dihydroergotamine mesylate Clavigrenin D Tamin retard l.u.t. D-Tamin retard l.u.t. D.H.E. 45 DET MS DHE 45 DHE puren DHE ratiopharm DHE-45 DHE-puren DHE-ratiopharm DHE45 Desitin brand OF dihydroergotamine mesylate Dihidroergotamina Dihydergot Dihydroergotamin al Dihydroergotamine mesylate Dihydroergotamine methanesulfonate Dihydroergotamine monomethanesulfonate Dihydroergotamine sandoz Dihydroergotamine-sandoz Dihydroergotaminum Dihytamin Erganton Ergomimet Ergont Ergotam von CT Farmasan brand OF dihydroergotamine mesylate Fujisawa brand OF dihydroergotamine mesylate Hormosan brand OF dihydroergotamine mesylate IPRAD brand OF dihydroergotamine mesylate Ikaran Mesylate, dihydroergotamine Methanesulfonate, dihydroergotamine Migranal Neomigran Novartis brand OF dihydroergotamine mesylate Orstanorm Pharmafrid brand OF dihydroergotamine mesylate Pierre fabre brand OF dihydroergotamine mesylate Q Pharm brand OF dihydroergotamine mesylate Q-Pharm brand OF dihydroergotamine mesylate Ratiopharm brand OF dihydroergotamine mesylate Sanol brand OF dihydroergotamine mesylate Schwarz brand OF dihydroergotamine mesylate Seglor Shire brand OF dihydroergotamine mesylate Tamik Verla brand OF dihydroergotamine mesylate Verladyn Von CT, ergotam Wernigeroide brand OF dihydroergotamine mesylate Xcel brand 1 OF dihydroergotamine mesylate Xcel brand 2 OF dihydroergotamine mesylate dihydroergotamine
seed.compound:cpd04899 seedM:cpd04899	Dihydroergotamine dihydroergotamine
CHEBI:91758 chebi:91758	LSM-1639
metacyc.compound:CPD-14462 metacycM:CPD-14462	dihydroergotamine
hmdb:HMDB14465 chebi:4826 chebi:658566 keggC:M_C07798 keggD:M_D07837 seedM:M_cpd04899	secondary/obsolete/fantasy identifier