Basic information
- CAS
121064-77-5- Standard SMILES
O=[N+]([O-])c1nccn1CCC[n+]1cc2ccccc2c2ccccc21.[Br-]- InChIKey
GYVSOOVXJXMCIJ-UHFFFAOYSA-M- Molecular formula
- C19H17BrN4O2
- Average molar mass
- 413.3 g/mol
- Monoisotopic mass
- 412.05349
Overview
structure given in first source
Names & identifiers
- Preferred name
- Nlp 1
- IUPAC
- 5-[3-(2-nitroimidazol-1-yl)propyl]phenanthridin-5-ium bromide
- English name
- 2-Nlp-3
- Molecular formula
- C19H17BrN4O2
- Molecular weight
- 413.28
Names & synonyms
NLP 1121064-77-52-Nlp-3NLP-15-(3-(2-Nitro-1-imidazyl)propyl)phenanthridiumRefChem:1661925-(3-(2-Nitro-1H-imidazol-1-yl)propyl)-phenanthridinium bromide5-[3-(2-nitroimidazol-1-yl)propyl]phenanthridin-5-ium;bromideorb1695885SCHEMBL8405642SCHEMBL29612341DTXSID80923662
Show more names
5-[3-(2-nitroimidazol-1-yl)propyl]phenanthridin-5-ium
Phenanthridinium, 5-(3-(2-nitro-1H-imidazol-1-yl)propyl)-, bromideAKOS040753294T337005-[3-(2-nitro-1-imidazolyl)-propyl]-phen-anthridinium bromide5-[3-(2-NITRO-1H-IMIDAZOL-1-YL)PROPYL]PHENANTHRIDIN-5-IUM BROMIDE
Database identifiers
- CAS
121064-77-5- PubChem CID
- 129352
- DTXSID
DTXSID80923662
Properties
Computed structural properties
- Topological polar surface area
- 67.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 469
Chemistry & industry
Applications
DescriptionNLP 1 is a DNA intercalating hypoxic cell radiosensitizer and cytotoxin.
Suppliers3 total
上海陶术生物科技股份有限公司13564774135 · [email protected]
TargetMol中国（陶术生物）15002134094 · [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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