Dihydroergotoxine (Q16633838)

Dihydroergotamine mesylate (English)

21 September 2016

chemical formula

C₃₄H₄₁N₅O₈S

1 reference

Dihydroergotamine mesylate (English)

21 September 2016

canonical SMILES

CC1(C(=O)N2C(C(=O)N3CCCC3C2(O1)O)CC4=CC=CC=C4)NC(=O)C5CC6C(CC7=CNC8=CC=CC6=C78)N(C5)C.CS(=O)(=O)O

1 reference

Dihydroergotamine mesylate (English)

21 September 2016

isomeric 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]5CC6[C@@H](CC7=CNC8=CC=CC6=C78)N(C5)C.CS(=O)(=O)O

1 reference

Dihydroergotamine mesylate (English)

21 September 2016

1 reference

Medical Subject Headings

15 March 2018

1 reference

Medical Subject Headings

MeSH descriptor ID

D004088

InChI=1S/C33H37N5O5.CH4O3S/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;1-5(2,3)4/h3-6,8-11,17,21,23,25-27,34,42H,7,12-16,18H2,1-2H3,(H,35,39);1H3,(H,2,3,4)/t21-,23?,25-,26+,27+,32-,33+;/m1./s1

15 March 2018

Identifiers

InChI

1 reference

Dihydroergotamine mesylate (English)

ADYPXRFPBQGGAH-WVVAGBSPSA-N

21 September 2016

InChIKey

1 reference

Dihydroergotamine mesylate (English)

imported from Wikimedia project

21 September 2016

CAS Registry Number

11032-41-0

1 reference

Serbo-Croatian Wikipedia

1 reference

(5'alpha)-5'-Benzyl-12'-hydroxy-2'-methyl-3',6',18-trioxo-9,10-dihydroergotaman methanesulfonate (1:1) (English)

21 September 2016

2 references

Dihydroergotamine mesylate (English)

matched by identifier from

21 September 2016

InChIKey

ADYPXRFPBQGGAH-WVVAGBSPSA-N

1 reference

matched by identifier from

CHEMBL1396675 (English)

21 September 2016

2 references

inferred from InChIKey

InChIKey

ADYPXRFPBQGGAH-WVVAGBSPSA-N

1 reference

0 references

Dihydroergotoxine

1 reference

stated in

Medical Subject Headings

14 March 2018

0 references

0 references

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0 references

1 reference

inferred by common MeSH mappings on source and on Wikidata

stated in

UMLS 2023