Hymecromone: Difference between revisions

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Revision as of 08:51, 24 February 2011 editBeetstra (talk \| contribs)Edit filter managers, Administrators172,031 edits Script assisted update of identifiers from ChemSpider, CommonChemistry and FDA for the Chem/Drugbox validation project - Updated: UNII ChEMBL.← Previous edit		Revision as of 09:02, 24 February 2011 edit undoCheMoBot (talk \| contribs)Bots141,565 edits Updating {{drugbox}} (no changed fields - added verified revid - updated 'ChemSpiderID_Ref', 'StdInChI_Ref', 'StdInChIKey_Ref', 'ChEMBL_Ref', 'KEGG_Ref') per Chem/Drugbox validation (report [[WikNext edit →
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	{{Drugbox		{{Drugbox
	\| verifiedrevid = ~~396494602~~		\| verifiedrevid = 415659048
	\| IUPAC_name = 7-Hydroxy-4-methylchromen-2-one		\| IUPAC_name = 7-Hydroxy-4-methylchromen-2-one
	\| image = Hymecromone.png		\| image = Hymecromone.png
	\| synonyms = 4-Methylumbelliferone		\| synonyms = 4-Methylumbelliferone
	\| CASNo_Ref = {{cascite\|correct\|CAS}}		\| CASNo_Ref = {{cascite\|correct\|CAS}}
			\| ChemSpiderID_Ref = {{chemspidercite\|correct\|chemspider}}
	\| ChemSpiderID = 4444190		\| ChemSpiderID = 4444190
	\| UNII_Ref = {{fdacite\|correct\|FDA}}		\| UNII_Ref = {{fdacite\|correct\|FDA}}
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	\| smiles = O=C/2Oc1cc(O)ccc1\C(=C\2)C		\| smiles = O=C/2Oc1cc(O)ccc1\C(=C\2)C
	\| InChIKey = HSHNITRMYYLLCV-UHFFFAOYAZ		\| InChIKey = HSHNITRMYYLLCV-UHFFFAOYAZ
			\| ChEMBL_Ref = {{ebicite\|correct\|EBI}}
	\| ChEMBL = 12208		\| ChEMBL = 12208
			\| StdInChI_Ref = {{stdinchicite\|correct\|chemspider}}
	\| StdInChI = 1S/C10H8O3/c1-6-4-10(12)13-9-5-7(11)2-3-8(6)9/h2-5,11H,1H3		\| StdInChI = 1S/C10H8O3/c1-6-4-10(12)13-9-5-7(11)2-3-8(6)9/h2-5,11H,1H3
			\| StdInChIKey_Ref = {{stdinchicite\|correct\|chemspider}}
	\| StdInChIKey = HSHNITRMYYLLCV-UHFFFAOYSA-N		\| StdInChIKey = HSHNITRMYYLLCV-UHFFFAOYSA-N
	\| CAS_number = 90-33-5		\| CAS_number = 90-33-5
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	\| PubChem = 5280567		\| PubChem = 5280567
	\| DrugBank =		\| DrugBank =
			\| KEGG_Ref = {{keggcite\|correct\|kegg}}
	\| KEGG = D00170		\| KEGG = D00170
	\| C=10\|H=8\|O=3		\| C=10\|H=8\|O=3

Revision as of 09:02, 24 February 2011

Pharmaceutical compound

Hymecromone
Clinical data

Other names	4-Methylumbelliferone
ATC code	A05AX02 (WHO)
Identifiers
IUPAC name 7-Hydroxy-4-methylchromen-2-one
CAS Number	90-33-5
PubChem CID	5280567
ChemSpider	4444190
UNII	3T5NG4Q468
KEGG	D00170
ChEMBL	ChEMBL12208
CompTox Dashboard (EPA)	DTXSID8025670
ECHA InfoCard	100.001.806
Chemical and physical data
Formula	C₁₀H₈O₃
Molar mass	176.17 g/mol g·mol
3D model (JSmol)	Interactive image
SMILES O=C/2Oc1cc(O)ccc1\C(=C\2)C
InChI InChI=1S/C10H8O3/c1-6-4-10(12)13-9-5-7(11)2-3-8(6)9/h2-5,11H,1H3 Key:HSHNITRMYYLLCV-UHFFFAOYSA-N
(verify)

Hymecromone (4-methylumbelliferone) is a drug used in bile therapy. It is used as choleretic and antispasmodic drugs and as a standard for the fluorometric determination of enzyme activity.

organic chemistry

C10H8O3 A crystalline substance with a melting point of 194-195°C; soluble in methanol and glacial acetic acid.

v t e Bile and liver therapy (A05)
Bile therapy	bile acid Chenodeoxycholic acid Cholic acid Obeticholic acid Ursodeoxycholic acid Ursodoxicoltaurine Cyclobutyrol Elafibranor Hymecromone Maralixibat chloride Menbutone Nicotinyl methylamide Odevixibat Piprozolin Seladelpar
Liver therapy	Arginine glutamate Citiolone Epomediol Glycyrrhizin Metadoxine Methionine Ornithine oxoglutarate Phospholipids Resmetirom Silymarin Tidiacic arginine

Types of coumarins

Aglycones

O-Methylated	Fraxetin Herniarin Osthol Scopoletin

Glycosides

Derivatives

Furanocoumarins

Aglycones

O-Methylated	Bergapten Isopimpinellin Methoxsalen Trioxsalen

Furanocoumarin glycosides

Apterin

Meroterpene furanocoumarin ether

Oligomers

Dicoumarol

Synthetic

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