Basic information
- CAS
69408-81-7- Standard SMILES
CN(C)CCN1C(=O)c2cccc3cc(N)cc(c23)C1=O.Cl- InChIKey
DFXVLDIRUFRLAA-UHFFFAOYSA-N- Molecular formula
- C16H18ClN3O2
- Average molar mass
- 319.78 g/mol
- Monoisotopic mass
- 319.1087545
Names & identifiers
- Preferred name
- Amonafide hydrochloride
- IUPAC
- 5-amino-2-[2-(dimethylamino)ethyl]benzo[de]isoquinoline-1,3-dione;hydrochloride
- English name
- Amonafide
- Molecular formula
- C16H17N3O2
- Molecular weight
- 283.33
Names & synonyms
Amonafide hydrochlorideAMONAFIDE, HYDROCHLORIDECHEMBL538838SCHEMBL1051955NSC621093NSC-6210935-amino-2-[2-(dimethylamino)ethyl]benzo[de]isoquinoline-1,3-dione;hydrochlorideFA-142AS1413MFA-142QuinaMedXanafide
Show more names
AMONAFIDEsc-207283NSC-308847NafidimideNCI 308847
Database identifiers
- CAS
69408-81-7- PubChem CID
- 359679
- ChEMBL
CHEMBL538838
Properties
Computed structural properties
- Topological polar surface area
- 66.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 437
Physicochemical properties
- Melting point
- 162 · 162-164°C
- Boiling point
- 500.2 · 500.2±35.0 °C(Predicted)
- Density
- 1.306 · 1.306±0.06 g/cm3(Predicted)
- storage temp.
- 2 · Keep in dark place,Sealed in dry,2-8°C
- solubility
- DMSO (Slightly), Methanol (Slightly)
- form
- Solid
- pka
- 8.83 · 8.83±0.28(Predicted)
- color
- Yellow to Dark Yellow
- InChI
- InChI=1S/C16H17N3O2/c1-18(2)6-7-19-15(20)12-5-3-4-10-8-11(17)9-13(14(10)12)16(19)21/h3-5,8-9H,6-7,17H2,1-2H3
- InChIKey
- UPALIKSFLSVKIS-UHFFFAOYSA-N
- SMILES
- C1(=O)C2=C3C(C=C(N)C=C3C(=O)N1CCN(C)C)=CC=C2
- NCI Dictionary of Cancer Terms
- amonafide
- FDA UNII
- 1 Q8D39N37L · 1Q8D39N37L
- NCI Drug Dictionary
- amonafide dihydrochloride
- UNSPSC Code
- 12352200 · 12352200
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
- wgk
- WGK 3
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H302
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Applications
UsesAmonafide is a DNA intercalator and topoisomerase II inhibitor in clinical development for the treatment of neoplastic diseases. Antitumor agent.
Suppliers87 total
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
武汉英诺医药科技有限公司+86-027-59232304 15387063101 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
湖北科乐精细化工有限公司027-59101668 19945030958 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
上海波以尔化工有限公司[email protected]
欧利希（湖北）医药科技有限公司17316404525 17316404525 · [email protected]
China Kouting Group Limited+86 (21) 5811-6473 5811-6475 · [email protected]
Advanced chemblocks inc650-6922368 650-6922368;650-6922368 · [email protected]
InvivoChem中国13549236410 · [email protected]
MedBio脉铂医药021-69568360 18916172912 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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