Basic information
- CAS
87581-14-4- Standard SMILES
O=C(NCCCCNCCCNC(=O)c1ccc([N+](=O)[O-])cc1)c1ccc([N+](=O)[O-])cc1- InChIKey
CITGVVGNJAJBKW-UHFFFAOYSA-N- Molecular formula
- C21H25N5O6
- Average molar mass
- 443.5 g/mol
- Monoisotopic mass
- 443.18048353
Overview
structure given in first source
Names & identifiers
- Preferred name
- N(1),N(10)-Bis(4-nitrobenzoyl)spermidine
- IUPAC
- 4-nitro-N-[4-[3-[(4-nitrobenzoyl)amino]propylamino]butyl]benzamide
- English name
- N(1),N(10)-bis(4-nitrobenzoyl)spermidine
- Molecular formula
- C21H25N5O6
- Molecular weight
- 443.4531
Names & synonyms
B-4-NbsdN(1),N(10)-Bis(4-nitrobenzoyl)spermidine87581-14-4WG7YZG4JM5NSC-380272DTXSID60236489Benzamide, 4-nitro-N-(3-((4-((4-nitrobenzoyl)amino)butyl)amino)propyl)-4-Nitro-N-(3-((4-((4-nitrobenzoyl)amino)butyl)amino)propyl)benzamide4-Nitro-N-[3-[[4-[(4-nitrobenzoyl)amino]butyl]amino]propyl]benzamideBenzamide, 4-nitro-N-[3-[[4-[(4-nitrobenzoyl)amino]butyl]amino]propyl]-RefChem:160586DTXCID10158980
Show more names
NSC380272NSC 380272FNT 1SCHEMBL109758284-nitro-N-[4-[3-[(4-nitrobenzoyl)amino]propylamino]butyl]benzamide4-Nitro-N-(3-{[4-(4-nitrobenzamido)butyl]amino}propyl)benzamide4-(Hydroxy(oxido)amino)-N-(4-((3-((4-(hydroxy(oxido)amino)benzoyl)amino)propyl)amino)butyl)benzamide
Database identifiers
- CAS
87581-14-4- PubChem CID
- 100830
- DTXSID
DTXSID60236489
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 162 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 11
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 619
Physicochemical properties
- FDA UNII
- 7 YZG4JM5 · WG7YZG4JM5
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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