Isoalloxazine, 9-(3-dimethylaminopropyl)-, hydrochloride
Basic information
- CAS
74195-68-9- Standard SMILES
C[NH+](C)CCCc1cccc2nc3c(=O)[nH]c(=O)[nH]c3nc12.[Cl-]- InChIKey
CGWZLBUIFBHYBN-UHFFFAOYSA-N- Molecular formula
- C15H18ClN5O2
- Average molar mass
- 335.79 g/mol
- Monoisotopic mass
- 335.1149025
Names & identifiers
- Preferred name
- Isoalloxazine, 9-(3-dimethylaminopropyl)-, hydrochloride
- IUPAC
- 3-(2,4-dioxo-1H-benzo[g]pteridin-9-yl)propyl-dimethylazanium chloride
Names & synonyms
ISOALLOXAZINE, 9-(3-DIMETHYLAMINOPROPYL)-, HYDROCHLORIDE9-(3-Dimethylaminopropyl)isoalloxazine hydrochloride74195-68-9(gamma-Dimethylaminopropyl)-9 isoalloxazine chlorhydrate [French]DTXSID50225185(gamma-Dimethylaminopropyl)-9 isoalloxazine chlorhydrateRefChem:349542DTXCID501476763-(2,4-Dioxo-1,2,3,4-tetrahydrobenzo[g]pteridin-9-yl)-N,N-dimethylpropan-1-aminium chloride
Database identifiers
- CAS
74195-68-9- PubChem CID
- 5362008
- DTXSID
DTXSID50225185
Properties
Computed structural properties
- Topological polar surface area
- 88.4 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 442
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Compound notes
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