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CHEBI:31429 - colforsin daropate hydrochloride

Default Structure
ChEBI IDCHEBI:31429
ChEBI Namecolforsin daropate hydrochloride
Stars
DefinitionThe hydrochloride salt of colforsin daropate. It is a drug used for the treatment of acute heart failure. It directly stimulates adenylate cyclase and produces positive inotropic and vasodilator effects accompanied by the increase in cellular cAMP.
Last Modified12 November 2020
DownloadsMolfile
FormulaC27H43NO8.HCl
Net Charge0
Average Mass546.101
Monoisotopic Mass545.27555
SMILESCl.[H][C@@]12[C@H](OC(=O)CCN(C)C)[C@H](OC(C)=O)[C@@]3(C)O[C@@](C)(C=C)CC(=O)[C@]3(O)[C@@]1(C)[C@@H](O)CCC2(C)C
InChIInChI=1S/C27H43NO8.ClH/c1-10-24(5)15-18(31)27(33)25(6)17(30)11-13-23(3,4)21(25)20(35-19(32)12-14-28(8)9)22(34-16(2)29)26(27,7)36-24;/h10,17,20-22,30,33H,1,11-15H2,2-9H3;1H/t17-,20-,21-,22-,24-,25-,26+,27-;/m0./s1
InChIKeyVIRRLEDAYYYTOD-YHEOSNBFSA-N
Roles Classification
Biological Role:
adenylate cyclase agonist  Any agonist of one or more of the isoforms of adenylate cyclase (EC 4.6.1.1).
Applications:
vasodilator agent  A drug used to cause dilation of the blood vessels.
antihypertensive agent  Any drug used in the treatment of acute or chronic vascular hypertension regardless of pharmacological mechanism.
cardiotonic drug  A drug that has a strengthening effect on the heart or that can increase cardiac output.
ChEBI Ontology
Outgoing Relation(s)
colforsin daropate hydrochloride (CHEBI:31429) has part colforsin daropate(1+) (CHEBI:166832)
colforsin daropate hydrochloride (CHEBI:31429) has role adenylate cyclase agonist (CHEBI:78548)
colforsin daropate hydrochloride (CHEBI:31429) has role antihypertensive agent (CHEBI:35674)
colforsin daropate hydrochloride (CHEBI:31429) has role cardiotonic drug (CHEBI:38147)
colforsin daropate hydrochloride (CHEBI:31429) has role vasodilator agent (CHEBI:35620)
colforsin daropate hydrochloride (CHEBI:31429) is a hydrochloride (CHEBI:36807)
IUPAC Name 
(3R,4aR,5S,6S,6aS,10S,10aR,10bS)-5-(acetyloxy)-3-ethenyl-10,10b-dihydroxy-3,4a,7,7,10a-pentamethyl-1-oxododecahydro-1H-benzo[f]chromen-6-yl N,N-dimethyl-β-alaninate hydrochloride
Synonyms  Source
(3R,4aR,5S,6S,6aS,10S,10aR,10bS)-5-(acetyloxy)-3-ethenyl-10,10b-dihydroxy-3,4a,7,7,10a-pentamethyl-1-oxododecahydro-1H-naphtho[2,1-b]pyran-6-yl N,N-dimethyl-β-alaninate—hydrogen chlorideIUPAC
6-(3-dimethylaminopropionyl)forskolin hydrochlorideChEBI
colforsin dapropate HClChemIDplus
colforsin dapropate hydrochlorideDrugCentral
colforsin daropate HClDrugCentral
colforsin daropate hydrochlorideChemIDplus
Brand Name  Source
AdehlKEGG DRUG
Manual XrefsDatabases
729DrugCentral
D01697KEGG DRUG
Registry NumbersSources
CAS:138605-00-2ChemIDplus
Citations