Isoalloxazine, 7-chloro-10-(3-(diethylamino)-2-hydroxypropyl)-, sulfate
Basic information
- CAS
101651-90-5- Standard SMILES
CC[NH+](CC)CC(O)Cn1c2nc(=O)[nH]c(=O)c-2nc2cc(Cl)ccc21.O=S(=O)([O-])O- InChIKey
XUEIYTBYODJVMT-UHFFFAOYSA-N- Molecular formula
- C17H22ClN5O7S
- Average molar mass
- 475.9 g/mol
- Monoisotopic mass
- 475.0928469
Names & identifiers
- Preferred name
- Isoalloxazine, 7-chloro-10-(3-(diethylamino)-2-hydroxypropyl)-, sulfate
- IUPAC
- [3-(7-chloro-2,4-dioxobenzo[g]pteridin-10-yl)-2-hydroxypropyl]-diethylazanium;hydrogen sulfate
Names & synonyms
7-Chloro-10-(3-(diethylamino)-2-hydroxypropyl)isoalloxazine sulfate101651-90-5ISOALLOXAZINE, 7-CHLORO-10-(3-(DIETHYLAMINO)-2-HYDROXYPROPYL)-, SULFATERefChem:349537
Database identifiers
- CAS
101651-90-5- PubChem CID
- 58659
Properties
Computed structural properties
- Topological polar surface area
- 185 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 6
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 710
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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