The Drug Ontology

Last uploaded: March 3, 2024
Preferred Name

Dihydroergocristine

Synonyms

9,10-dihydroergocristine

DHEC

(10alphaH)-5'alpha-benzyl-12'-hydroxy-3',6',18-trioxo-2'-(propan-2-yl)-9,10-dihydroergotaman

Definitions

Ergocristine in which a single bond replaces the double bond between positions 9 and 10. It is used as the mesylate salt for the symptomatic treatment of mental deterioration associated with cerebrovascular insufficiency and in peripheral vascular disease.

ID

http://purl.obolibrary.org/obo/CHEBI_59912

alternative label

9,10-dihydroergocristine

DHEC

(10alphaH)-5'alpha-benzyl-12'-hydroxy-3',6',18-trioxo-2'-(propan-2-yl)-9,10-dihydroergotaman

charge

0

database_cross_reference

KEGG:D07834

LINCS:LSM-4200

CAS:17479-19-5

Beilstein:79043

Drug_Central:887

definition

Ergocristine in which a single bond replaces the double bond between positions 9 and 10. It is used as the mesylate salt for the symptomatic treatment of mental deterioration associated with cerebrovascular insufficiency and in peripheral vascular disease.

formula

C35H41N5O5

has functional parent

http://purl.obolibrary.org/obo/CHEBI_4821

has parent hydride

http://purl.obolibrary.org/obo/CHEBI_36185

has role

http://purl.obolibrary.org/obo/CHEBI_37887

http://purl.obolibrary.org/obo/CHEBI_35620

has_exact_synonym

(10alphaH)-5'alpha-benzyl-12'-hydroxy-3',6',18-trioxo-2'-(propan-2-yl)-9,10-dihydroergotaman

has_obo_namespace

chebi_ontology

has_related_synonym

9,10-dihydroergocristine

DHEC

has_RxCUI

3416

id

CHEBI:59912

in_subset

http://purl.obolibrary.org/obo/chebi#3_STAR

inchi

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

inchikey

DEQITUUQPICUMR-HJPBWRTMSA-N

label

Dihydroergocristine

dihydroergocristine

mass

611.73050

monoisotopicmass

611.31077

notation

CHEBI:59912

prefLabel

Dihydroergocristine

smiles

[H][C@@]12Cc3c[nH]c4cccc(c34)[C@@]1([H])C[C@H](CN2C)C(=O)N[C@@]1(O[C@]2(O)N([C@@H](Cc3ccccc3)C(=O)N3CCC[C@@]23[H])C1=O)C(C)C

subClassOf

http://purl.obolibrary.org/obo/CHEBI_23943

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Delete Mapping To Ontology Source
http://purl.obolibrary.org/obo/CHEBI_59912 CHEBI SAME_URI
http://purl.obolibrary.org/obo/CHEBI_59912 CHEBI SAME_URI
http://purl.obolibrary.org/obo/CHEBI_59912 PDRO SAME_URI
http://purl.obolibrary.org/obo/CHEBI_59912 DINTO SAME_URI
http://purl.obolibrary.org/obo/CHEBI_59912 BERO SAME_URI
http://purl.obolibrary.org/obo/CHEBI_59912 BIOMODELS SAME_URI
http://purl.obolibrary.org/obo/CHEBI_59912 CHEBI LOOM
http://purl.obolibrary.org/obo/CHEBI_59912 CHEBI LOOM
http://evs.nci.nih.gov/ftp1/NDF-RT/NDF-RT.owl#N0000146192 OCVDAE LOOM
http://sbmi.uth.tmc.edu/ontology/ochv#3948 OCHV LOOM
http://purl.obolibrary.org/obo/MESH_D025442 BERO LOOM
http://purl.bioontology.org/ontology/NDFRT/N0000146192 NDFRT LOOM
https://go.drugbank.com/drugs/DB13345 MDM LOOM
http://ncicb.nci.nih.gov/xml/owl/EVS/Thesaurus.owl#C75938 NCIT LOOM
http://phenomebrowser.net/ontologies/mesh/mesh.owl#D03.549.562.200 RH-MESH LOOM
http://phenomebrowser.net/ontologies/mesh/mesh.owl#D03.132.327.412.175 RH-MESH LOOM
http://purl.obolibrary.org/obo/OMIT_0021141 OMIT LOOM
http://purl.bioontology.org/ontology/VANDF/4017834 VANDF LOOM
http://purl.bioontology.org/ontology/SNMI/C-68440 SNMI LOOM
http://purl.bioontology.org/ontology/NDDF/004349 NDDF LOOM
http://stirdf.jst.go.jp/id/200907078422781870 IOBC LOOM
http://purl.obolibrary.org/obo/CHEBI_59912 PDRO LOOM
http://purl.obolibrary.org/obo/CHEBI_59912 DINTO LOOM
http://purl.obolibrary.org/obo/CHEBI_59912 BERO LOOM
http://purl.obolibrary.org/obo/CHEBI_59912 BIOMODELS LOOM
http://purl.bioontology.org/ontology/MESH/D025442 MESH LOOM
http://purl.bioontology.org/ontology/SNOMEDCT/64447003 SNOMEDCT LOOM
http://purl.bioontology.org/ontology/RXNORM/3416 RXNORM LOOM
http://phenomebrowser.net/ontologies/mesh/mesh.owl#D025442 RH-MESH LOOM
http://sbmi.uth.tmc.edu/ontology/ochv#C0012289 OCHV LOOM
http://purl.bioontology.org/ontology/ATC/C04AE04 ATC LOOM
http://www.phoc.org.cn/pmo/class/PMO_00018019 PMAPP-PMO LOOM
http://purl.jp/bio/4/id/200906053076253970 IOBC LOOM
http://purl.obolibrary.org/obo/NCIT_C75938 BERO LOOM