ergoloid mesylate (Q4161323)

DrugBank

17 November 2015

631.267584 dalton

1 reference

SCHEMBL122125 (English)

4 October 2016

chemical formula

C₃₀H₄₁N₅O₈S

1 reference

SCHEMBL122125 (English)

4 October 2016

canonical SMILES

CC1C(=O)N2CCCC2C3(N1C(=O)C(O3)(C(C)C)NC(=O)C4CC5C(CC6=CNC7=CC=CC5=C67)N(C4)C)O.CS(=O)(=O)O

1 reference

SCHEMBL122125 (English)

4 October 2016

isomeric SMILES

C[C@H]1C(=O)N2CCC[C@H]2[C@]3(N1C(=O)[C@](O3)(C(C)C)NC(=O)[C@@H]4C[C@H]5[C@@H](CC6=CNC7=CC=CC5=C67)N(C4)C)O.CS(=O)(=O)O

1 reference

SCHEMBL122125 (English)

https://www.whocc.no/atc_ddd_index/?code=C04AE01

4 October 2016

defined daily dose

3 milligram

route of administration

oral administration

1 reference

reference URL

3 milligram

route of administration

parenteral route of administration

1 reference

reference URL

https://www.whocc.no/atc_ddd_index/?code=C04AE01

route of administration

oral administration

0 references

subcutaneous injection

0 references

intramuscular injection

0 references

intravenous infusion and defusion

0 references

subject has role

alpha blocker

1 reference

Medical Subject Headings

15 March 2018

1 reference

Medical Subject Headings

15 March 2018

1 reference

Medical Subject Headings

MeSH descriptor ID

D004877

InChI=1S/C29H37N5O5.CH4O3S/c1-15(2)28(27(37)34-16(3)26(36)33-10-6-9-23(33)29(34,38)39-28)31-25(35)18-11-20-19-7-5-8-21-24(19)17(13-30-21)12-22(20)32(4)14-18;1-5(2,3)4/h5,7-8,13,15-16,18,20,22-23,30,38H,6,9-12,14H2,1-4H3,(H,31,35);1H3,(H,2,3,4)/t16-,18+,20+,22+,23-,28+,29-;/m0./s1

15 March 2018

Identifiers

InChI

1 reference

SCHEMBL122125 (English)

FQHMMOGHDWAXDI-WUQHHHCFSA-N

4 October 2016

InChIKey

1 reference

SCHEMBL122125 (English)

4 October 2016

1 reference

Ergoloid mesylate (English)

4 October 2016

0 references

2 references

SCHEMBL122125 (English)

matched by identifier from

4 October 2016

InChIKey

FQHMMOGHDWAXDI-WUQHHHCFSA-N

Reaxys registry number

8896265

0 references

1 reference

matched by identifier from

Ergoloid mesylate (English)

17 November 2015

2 references

inferred from InChIKey

InChIKey

FQHMMOGHDWAXDI-WUQHHHCFSA-N

1 reference

0 references

630-416-3

1 reference

ECHA Substance Infocard database

ECHA Substance Infocard ID

100.158.718

27 December 2018

ECHA Substance Infocard ID

(6aR,9R)-N-((2S,5S,10aS,10bR)-10b-hydroxy-2-isopropyl-3,6-dioxo-5-tert-pentyloctahydro-2H- 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 (English)

quotation

CAS no.: 8067-24-1 (English)

100.158.718

1 reference

ECHA Substance Infocard database

ECHA Substance Infocard ID

100.158.718

27 December 2018

(6aR,9R)-N-((2S,5S,10aS,10bR)-10b-hydroxy-2-isopropyl-3,6-dioxo-5-tert-pentyloctahydro-2H- 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 (English)

quotation

CAS no.: 8067-24-1 (English)

1 reference