dihydroergocristine (Q5276428)

Dihydroergocristine (English)

18 November 2016

chemical formula

C₃₅H₄₁N₅O₅

1 reference

Dihydroergocristine (English)

18 November 2016

canonical SMILES

CC(C)C1(C(=O)N2C(C(=O)N3CCCC3C2(O1)O)CC4=CC=CC=C4)NC(=O)C5CC6C(CC7=CNC8=CC=CC6=C78)N(C5)C

1 reference

Dihydroergocristine (English)

18 November 2016

isomeric SMILES

CC(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

1 reference

Dihydroergocristine (English)

medical condition treated

18 November 2016

dementia

start time

30 December 1977

approved by

Food and Drug Administration

1 reference

Inxight: Drugs Database

https://drugs.ncats.io/drug/05D48LUM4Z

2 November 2018

reference URL

https://ntp.niehs.nih.gov/ntp/htdocs/chem_background/exsumpdf/hydergine_508.pdf

subject has role

adrenergic antagonist

1 reference

Medical Subject Headings

15 March 2018

1 reference

Medical Subject Headings

MeSH descriptor ID

D025442

InChI=1S/C35H41N5O5/c1-20(2)34(37-31(41)23-16-25-24-11-7-12-26-30(24)22(18-36-26)17-27(25)38(3)19-23)33(43)40-28(15-21-9-5-4-6-10-21)32(42)39-14-8-13-29(39)35(40,44)45-34/h4-7,9-12,18,20,23,25,27-29,36,44H,8,13-17,19H2,1-3H3,(H,37,41)/t23-,25-,27-,28+,29+,34-,35+/m1/s1

15 March 2018

Identifiers

InChI

1 reference

Dihydroergocristine (English)

18 November 2016

2 references

Dihydroergocristine (English)

18 November 2016

ChEBI release 2020-09-01

CAS Registry Number

17479-19-5

2 references

https://commonchemistry.cas.org/detail?cas_rn=17479-19-5

dihydroergocristine (English)

18 November 2016

7 April 2021

1 reference

dihydroergocristine (English)

18 November 2016

2 references

Dihydroergocristine (English)

18 November 2016

Reaxys registry number

79043

1 reference

dihydroergocristine (English)

6 October 2016

ChEBI ID

59912

mapping relation type

2 references

DIHYDROERGOCRISTINE (English)

18 November 2016

International Chemical Identifier

1 reference

DIHYDROERGOCRISTINE (English)

reason for deprecated rank

18 November 2016

CHEMBL1967279

applies to other chemical entity

1 reference

IUPHAR/BPS Guide to PHARMACOLOGY

8 February 2021

2 references

inferred from InChIKey

MSBNK-RIKEN_NPDepo-CB000071

1 reference

MassBank accession ID

1 reference

MassBank/MassBank-data: release version 2022.06 to wikidata

4 September 2022

MSBNK-RIKEN_NPDepo-NGA02477

1 reference

MassBank/MassBank-data: release version 2022.06 to wikidata

4 September 2022

MSBNK-RIKEN_NPDepo-NGA02478

1 reference

MassBank/MassBank-data: release version 2022.06 to wikidata

4 September 2022

MSBNK-RIKEN_NPDepo-NGA02479

1 reference

MassBank/MassBank-data: release version 2022.06 to wikidata

4 September 2022

MSBNK-RIKEN_NPDepo-NGA02480

1 reference

MassBank/MassBank-data: release version 2022.06 to wikidata

4 September 2022

2 references

Mapping file of InChIStrings, InChIKeys and DTXSIDs for the EPA CompTox Dashboard

DSSTOX compound identifier

0 references

1 reference

dihydroergocristine (English)

ECHA Substance Infocard ID

18 November 2016

100.037.706

1 reference

ECHA Substance Infocard database

ECHA Substance Infocard ID

100.037.706

27 December 2018

Guide to Pharmacology Ligand ID

Dihydroergocristine (English)

quotation

CAS no.: 17479-19-5 (English)

ATC code

C04AE04

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Dihydroergocristine

0 references

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1 reference

dihydroergocristine (English)

18 November 2016

DrugBank ID

DB13345

1 reference

2 references

dihydroergocristine (English)

18 November 2016

NDF-RT ID

N0000146192

1 reference

dihydroergocristine (English)

18 November 2016

0 references

1 reference

1 reference

dihydroergocristine (English)

6 October 2016

0 references

1 reference

28 October 2013

Microsoft Academic ID

0 references

1 reference

dihydroergocristine (English)