Basic information
- CAS
7460-43-7- Standard SMILES
COc1c(C)c(O)cc2c1C(=O)c1ccccc1C2=O- InChIKey
NTBUBTCXACOEEC-UHFFFAOYSA-N- Molecular formula
- C16H12O4
- Average molar mass
- 268.26 g/mol
- Monoisotopic mass
- 268.07355886
Overview
Rubiadin 1-methyl ether has been reported in Hymenodictyon orixense, Coelospermum paniculatum, and other organisms with data available.
Names & identifiers
- Preferred name
- Rubiadin 1-methyl ether
- IUPAC
- 3-hydroxy-1-methoxy-2-methylanthracene-9,10-dione
- English name
- rubiadin 1-methyl ether
- Molecular formula
- C16H12O4
- Molecular weight
- 268.26
Names & synonyms
Rubiadin 1-methyl ether7460-43-73-hydroxy-1-methoxy-2-methylanthracene-9,10-dioneMK2IXH6AUENSC-59063DTXSID802255729,10-Anthracenedione, 3-hydroxy-1-methoxy-2-methyl-RefChem:883929DTXCID10148063Rubiadin-1-methyl ether3-Hydroxy-1-methoxy-2-methylanthraquinoneMFCD12031637
Show more names
Methylisoquinoline-1-methyletherRubiadin-1-methyl ether, 10 mM in DMSO
3-hydroxy-1-methoxy-2-methyl-anthracene-9,10-dione3-Hydroxy-1-methoxy-2-methyl-anthraquinoneNSC 59063rubiadin-1-methyletherUNII-MK2IXH6AUENCIOpen2_002551orb1217677orb1303033
Database identifiers
- CAS
7460-43-7- PubChem CID
- 96191
- DTXSID
DTXSID80225572- ChEMBL
CHEMBL3921530- UNII
- MK2IXH6AUE
- EC Number
- 683-131-1
- Nikkaji
- J533.633C
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 63.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 419
Experimental & physicochemical properties
LogP2.83
Physicochemical properties
- Melting point
- 291 °C · 291 °C
- Boiling point
- 502.2 · 502.2±50.0 °C(Predicted)
- Density
- 1.356 · 1.356±0.06 g/cm3(Predicted)
- solubility
- Soluble in Chloroform,Dichloromethane,Ethyl Acetate,DMSO,Acetone,etc.
- form
- powder
- pka
- 7.4 · 7.40±0.20(Predicted)
- color
- Yellow
- LogP
- 2.073 · 2.073 (est)
- FDA UNII
- 2 IXH6AUE · MK2IXH6AUE
- Symbol(GHS)
- 8 · GHS08,GHS07
- Signal word
- Warning
- Hazard statements
- 351 · H351-H302
- Precautionary statements
- 201 · P201-P202-P281-P308+P313-P405-P501-P264-P270-P301+P312-P330-P501
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P203, P264, P270, P280, P301+P317, P318, P330, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS08,GHS07
- Hazard statements
- H351-H302
- Precautionary statements
- P201-P202-P281-P308+P313-P405-P501-P264-P270-P301+P312-P330-P501
Chemistry & industry
Applications
UsesRubiadin-1-methyl Ether can be used as a drug to treat osteosarcoma.
Suppliers100 total
南京世洲生物科技有限公司025-85560043 15850508050 · [email protected]
成都普瑞法科技开发有限公司+86-028-82633397 18982077548 · [email protected]
成都乐美天医药科技有限公司17308096051 17308096051 · [email protected]
成都曼思特生物科技有限公司18010516991 · [email protected]
南京普怡生物科技有限公司13814510036 · [email protected]
上海纯优生物科技有限公司15921393123 18302135232 · [email protected]
成都埃法生物科技有限公司028-028-85142057 19983342022 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
江苏永健医药科技有限公司17701422015 · [email protected]
成都彼样生物科技有限公司18108052721 · [email protected]
合肥翰刚医药科技有限公司+8618062405514 · [email protected]
上海哲研生物科技有限公司021-18017610038 18017610038 · [email protected]
河南赢创生物科技有限公司
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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