Basic information
- CAS
74890-30-5- Standard SMILES
Br.CCOC(=O)c1ccc(N)cc1.CN(C)CCC(c1ccccc1)c1ccccn1.CN1[C@@H]2CC(OC(=O)[C@H](CO)c3ccccc3)C[C@H]1[C@H]1O[C@H]12.Cn1c(=O)c2c(ncn2C)n(C)c1=O.O=C(O)/C=C/C(=O)O- InChIKey
KCSJEUUKLHIKCB-JAQVDTAJSA-N- Molecular formula
- C54H67BrN8O12
- Average molar mass
- 1,100.1 g/mol
- Monoisotopic mass
- 1,098.40618
Names & identifiers
- Preferred name
- Aneron nyscaps
- IUPAC
- (E)-but-2-enedioic acid;N,N-dimethyl-3-phenyl-3-pyridin-2-ylpropan-1-amine;ethyl 4-aminobenzoate;[(1R,2S,4R,5S)-9-methyl-3-oxa-9-azatricyclo[3.3.1.02,4]nonan-7-yl] (2S)-3-hydroxy-2-phenylpropanoate;1,3,7-trimethylpurine-2,6-dione;hydrobromide
Names & synonyms
Aneron nyscaps74890-30-5Benzeneacetic acid, alpha-(hydroxymethyl)-, 9-methyl-3-oxa-9-azatricyclo(3.3.1.0(sup 2,4))non-7-yl ester, (7-(S)-(1-alpha,2-beta,4-beta,5-alpha,7-beta))-, hydrobromide, mixt. with 3,7-dihydro-1,3,7-trimethyl-1H-purine-2,6-dione, N,N-dimethyl-gamma-phenyl-2-pyridinepropanamine (Z)-2-butenedioate (1:1) and ethyl 4-aminobenzoate
Database identifiers
- CAS
74890-30-5- PubChem CID
- 6447423
Properties
Computed structural properties
- Topological polar surface area
- 264 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 17
- Rotatable bonds
- 15
- Heavy atoms
- 75
- Formal charge
- 0
- Complexity
- 1,200
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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