4-Methylumbelliferyl sulfate

HCID 84843
NotesReactions
Substructure searchFind similar structures

Basic information

CAS
25892-63-1
Standard SMILES
Cc1cc(=O)oc2cc(OS(=O)(=O)O)ccc12
InChIKey
FUYLLJCBCKRIAL-UHFFFAOYSA-N
Molecular formula
C10H8O6S
Average molar mass
256.23 g/mol
Monoisotopic mass
256.00415898

Overview

4-methylumbelliferone sulfate is a member of the class of coumarins that is umbelliferone sulfate which carries a methyl group at position 4. It is a metabolite of 4-methylumbelliferone. It has a role as a human xenobiotic metabolite. It is a member of coumarins and an aryl sulfate. It is functionally related to an umbelliferone sulfate and a 4-methylumbelliferone. It is a conjugate acid of a 4-methylumbelliferone sulfate(1-).

Names & identifiers

Preferred name
4-Methylumbelliferyl sulfate
IUPAC
(4-methyl-2-oxochromen-7-yl) hydrogen sulfate
English name
4-Methylumbelliferone sulfate
Molecular formula
C10H8O6S
Molecular weight
256.23

Names & synonyms

4-Methylumbelliferone sulfate25892-63-14-methylumbelliferyl sulfateHymecromone sulfate(4-methyl-2-oxochromen-7-yl) hydrogen sulfateDTXSID60864564CHEBI:1905(4-methyl-2-oxo-chromen-7-yl) hydrogen sulfateRefChem:99968DTXCID701977144-Methyl-2-oxo-2h-chromen-7-yl hydrogen sulfate2H-1-Benzopyran-2-one, 4-methyl-7-(sulfooxy)-
Show more names
4-METHYLUMBELLIFERYLSULPHATE7-Hydroxy-4-methyl-2H-1-benzopyran-2-one 7-sulfate4-Methyl-2-oxo-2H-1-benzopyran-7-ylhydrogen sulfate4-METHYL-7-(SULFOOXY)-2H-1-BENZOPYRAN-2-ONE（WS201681）Sulfuric acid hydrogen 4-methyl-2-oxo-2H-1-benzopyran-7-yl ester
4-methyl-2-oxo-2H-1-benzopyran-7-yl hydrogen sulfate(4-Methyl-2-Oxidanylidene-Chromen-7-Yl) Hydrogen Sulfatehymecromone 7-sulfateAC1Q6XJIAC1L38AP4-methyl-7-(sulfooxy)-2H-1-Benzopyran-2-one7-sulfooxy-4-methylcoumarinSCHEMBL25184

Database identifiers

CAS
25892-63-1
PubChem CID
84843
DTXSID
DTXSID60864564
ChEMBL
CHEMBL2074784
ChEBI
CHEBI:1905
Nikkaji
J387.587C

Properties

Computed structural properties

XLogP
1.3
Topological polar surface area
98.3 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
6
Rotatable bonds
2
Heavy atoms
17

Chemistry & industry

Suppliers6 total

河南伊诺凯新材料有限公司15670530983 · [email protected]
HANGZHOU LEAP CHEM CO., LTD.+86-571-87711850 +86-15355479329 · [email protected]
东阳市求索医药科技有限公司17502510579 · [email protected]
成都同创源医药科技有限公司028-83379370 13880556291 · [email protected]
上海万千化工有限公司18796480002 18796480002 · [email protected]
Additional notes · 1 item

DefinitionChEBI: 4-methylumbelliferone sulfate is a member of the class of coumarins that is umbelliferone sulfate which carries a methyl group at position 4. It is a metabolite of 4-methylumbelliferone. It has a role as a human xenobiotic metabolite. It is an aryl sulfate and a member of coumarins. It is functionally related to an umbelliferone sulfate and a 4-methylumbelliferone. It is a conjugate acid of a 4-methylumbelliferone sulfate(1-).

Related reactions

0 records
New reaction record

No reaction records under the current filter.

Compound notes

Loading…