Basic information
- CAS
101651-88-1- Standard SMILES
O=S(=O)([O-])O.O=c1nc2n(CCC[NH+](CCO)CCO)c3ccc(Cl)cc3nc-2c(=O)[nH]1- InChIKey
JOVPXVSWLLIEKQ-UHFFFAOYSA-N- Molecular formula
- C17H22ClN5O8S
- Average molar mass
- 491.9 g/mol
- Monoisotopic mass
- 491.0877615
Names & identifiers
- Preferred name
- Isoalloxazine, 7-chloro-10-(3-(bis(2-hydroxyethyl)amino)propyl)-, sulfate
- IUPAC
- 3-(7-chloro-2,4-dioxobenzo[g]pteridin-10-yl)propyl-bis(2-hydroxyethyl)azanium;hydrogen sulfate
Names & synonyms
ISOALLOXAZINE, 7-CHLORO-10-(3-(BIS(2-HYDROXYETHYL)AMINO)PROPYL)-, SULFATE10-(3-(Bis(2-hydroxyethyl)amino)propyl)-7-chloroisoalloxazine sulfate101651-88-1DTXSID00144099RefChem:349536DTXCID90665903-(7-Chloro-2,4-dioxo-3,4-dihydrobenzo[g]pteridin-10(2H)-yl)-N,N-bis(2-hydroxyethyl)propan-1-aminium hydrogen sulfate
Database identifiers
- CAS
101651-88-1- PubChem CID
- 58657
- DTXSID
DTXSID00144099
Properties
Computed structural properties
- Topological polar surface area
- 205 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 8
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 711
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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