Basic information
- CAS
3573-90-8- Standard SMILES
COC1=CC(=O)C=C(C)[C@]12Oc1c(Cl)c(OC)cc(OC)c1C2=O- InChIKey
ISLYVROQSJYFAZ-KRWDZBQOSA-N- Molecular formula
- C17H15ClO6
- Average molar mass
- 350.7 g/mol
- Monoisotopic mass
- 350.0557159
Overview
Dehydrogriseofulvin is a member of benzofurans.
Names & identifiers
- Preferred name
- (-)-Dehydrogriseofulvin
- IUPAC
- (2S)-7-chloro-3',4,6-trimethoxy-5'-methylspiro[1-benzofuran-2,4'-cyclohexa-2,5-diene]-1',3-dione
- English name
- dehydrogriseofulvin
- Molecular formula
- C17H15ClO6
- Molecular weight
- 350.75
Names & synonyms
Dehydrogriseofulvin3573-90-82S5ET7TN92(2S)-7-chloro-3',4,6-trimethoxy-5'-methylspiro[1-benzofuran-2,4'-cyclohexa-2,5-diene]-1',3-dione(-)-DEHYDROGRISEOFULVINSpiro(benzofuran-2(3H),1'-(2,5)cyclohexadiene)-3,4'-dione, 7-chloro-2',4,6-trimethoxy-6'-methyl-, (S)-(2S)-7-CHLORO-3',4,6-TRIMETHOXY-5'-METHYLSPIRO(1-BENZOFURAN-2,4'-CYCLOHEXA-2,5-DIENE)-1',3-DIONESpiro[benzofuran-2(3H),1'-[2,5]cyclohexadiene]-3,4'-dione, 7-chloro-2',4,6-trimethoxy-6'-methyl-, (S)-RefChem:131514Amudene(-)-Dehydro GriseofulvinDehydro Griseofulvin
Show more names
(?)-DehydrogriseofulvinGriseofulvin Dehydro ImpurityDehydrogriseofulvin, CAS 3573-90-8(1'S)-7-Chloro-2',4,6-triMethoxy-6'-Methylspiro[benzofuran-2(3H),1'-[2,5]cyclohexadiene]-3,4'-dioneSpiro[benzofuran-2(3H),1'-[2,5]cyclohexadiene]-3,4'-dione, 7-chloro-2',4,6-trimethoxy-6'-methyl-, (1'S)-
Griseofulvin, dehydro-UNII-2S5ET7TN92(S)-7-chloro-2',4,6-trimethoxy-6'-methyl-3H-spiro[benzofuran-2,1'-cyclohexa[2,5]diene]-3,4'-dione(?)-dehydro GriseofulvinGriseofulvin EP Impurity CC17H15ClO6CHEMBL4127442CHEBI:81999
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 71.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 627
Physicochemical properties
- Melting point
- 274 · 274-276°C
- Boiling point
- 578.8 · 578.8±50.0 °C(Predicted)
- Density
- 1.41 · 1.41±0.1 g/cm3(Predicted)
- storage temp.
- Refrigerator
- solubility
- Acetone (Slightly), Chloroform (Slightly), DMSO (Slightly)
- form
- Solid
- color
- Pale Brown to Beige
- FDA UNII
- 2 S5ET7TN92 · 2S5ET7TN92
- Symbol(GHS)
- 7 · GHS07,GHS08
- Signal word
- Warning
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07,GHS08
Chemistry & industry
Applications
UsesAn impurity of Griseofulvin (G787500).
Suppliers21 total
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
上海赛可锐生物科技有限公司021-58000709 13120558703 · [email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
上海维亦特生物科技有限公司15317051735 · [email protected]
深圳振强药物研发有限公司0755-66853366 13670046396 · [email protected]
上海陶素生化科技有限公司021-33632979 · [email protected]
成都迈斯克医药科技有限公司028-84552636 18084815636 · [email protected]
凯试（上海）科技有限公司021-50135380 · [email protected]
BOC Sciences16314854226; +8616314854226 · [email protected]
艾吉析科技（上海）有限公司17717235263 17717235263 · [email protected]
sgtlifesciences pvt ltd+91-8790379245 · [email protected]
BOC Sciences16314854226 · [email protected]
上海一飞生物科技有限公司
Related reactions
0 records
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Compound notes
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