NBD-5-acylcholine
Basic information
- CAS
70214-86-7- Standard SMILES
C[N+](C)(C)CCOC(=O)CCCCCNc1ccc([N+](=O)[O-])c2nonc12- InChIKey
BLWHUXXKWKVPAY-UHFFFAOYSA-N- Molecular formula
- C17H26N5O5+
- Average molar mass
- 380.4 g/mol
- Monoisotopic mass
- 380.19339395
Overview
fluorescent analog of acetylcholine; RN given refers to parent cpd
Names & identifiers
- Preferred name
- NBD-5-acylcholine
- IUPAC
- trimethyl-[2-[6-[(4-nitro-2,1,3-benzoxadiazol-7-yl)amino]hexanoyloxy]ethyl]azanium
- English name
- NBD-5-acylcholine
- Molecular formula
- C17H26N5O5+
- Molecular weight
- 380.41884
Names & synonyms
Nbd-5-acylcholine70214-86-7DTXSID50220478Ethanaminium, N,N,N-trimethyl-2-((6-((7-nitro-4-benzofurazanyl)amino)-1-oxohexyl)oxy)-N-7-(4-Nitrobenzo-2-oxo-1,3-diazole)-omega-aminohexanoic acid beta-(N-trimethylammonium)ethyl esterRefChem:164898DTXCID50142969trimethyl-[2-[6-[(4-nitro-2,1,3-benzoxadiazol-7-yl)amino]hexanoyloxy]ethyl]azaniumSCHEMBL31576805N,N,N-Trimethyl-2-({6-[(7-nitro-2,1,3-benzoxadiazol-4-yl)amino]hexanoyl}oxy)ethan-1-aminium
Database identifiers
- CAS
70214-86-7- PubChem CID
- 194337
- DTXSID
DTXSID50220478
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 123 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 11
- Heavy atoms
- 27
- Formal charge
- 1
- Complexity
- 493
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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