Basic information
- CAS
31232-26-5- Standard SMILES
CN1CCC(=C2c3ccccc3C(O)c3ccccc32)CC1- InChIKey
HLBRHTFSMMEHPK-UHFFFAOYSA-N- Molecular formula
- C20H21NO
- Average molar mass
- 291.4 g/mol
- Monoisotopic mass
- 291.16231429
Overview
Danitracen is a small molecule drug. Danitracen has a monoisotopic molecular weight of 291.16 Da.
Names & identifiers
- Preferred name
- Danitracen
- IUPAC
- 10-(1-methylpiperidin-4-ylidene)-9H-anthracen-9-ol
- English name
- Danitracen
- Molecular formula
- C20H21NO
- Molecular weight
- 291.39
Names & synonyms
DanitracenDanitracene31232-26-5DanitracenumWA-335WA 335W-A 3359,10-Dihydro-10-(1-methyl-4-piperidylidene)-9-anthrolDanitracenoNSC-170955SD507F5T2WDTXSID70185156
Show more names
WA-335-BSBRN 15400219,10-Dihydro-10-(1-methyl-4-piperidylidene)anthracen-9-ol9-Anthracenol, 9,10-dihydro-10-(1-methyl-4-piperidinylidene)-
W-A-335RefChem:919627DTXCID801076479,10-Dihydro-10-(1-methyl-4-piperidinylidene)-9-anthracenolDanitracen [INN]WA 335BS10-(1-methylpiperidin-4-ylidene)-9H-anthracen-9-olMLS000756379
Database identifiers
- CAS
31232-26-5- PubChem CID
- 35758
- DTXSID
DTXSID70185156- ChEMBL
CHEMBL440557- UNII
- SD507F5T2W
- Nikkaji
- J20.304A
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 23.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 407
Physicochemical properties
- Melting point
- 230 °C · 230 °C
- Boiling point
- 486 · 486.0±45.0 °C(Predicted)
- Density
- 1.196 · 1.196±0.06 g/cm3(Predicted)
- pka
- 13.31 · 13.31±0.20(Predicted)
- FDA UNII
- 507 F5T2W · SD507F5T2W
Chemistry & industry
Suppliers3 total
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
Wuhan Han Sheng New Material Technology Co.，Ltd+86-17798174412 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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