Isoalloxazine, 6,7-dichloro-10-(3-(N-(2-hydroxyethyl)ethylamino)propyl)-, sulfate

HCID 58677

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Basic information

CAS: 101652-05-5
Standard SMILES: CC[NH+](CCO)CCCn1c2nc(=O)[nH]c(=O)c-2nc2c(Cl)c(Cl)ccc21.O=S(=O)([O-])O
InChIKey: VYNIGNUGMQLRSZ-UHFFFAOYSA-N
Molecular formula: C17H21Cl2N5O7S
Average molar mass: 510.3 g/mol
Monoisotopic mass: 509.0538746

Names & identifiers

Preferred name: Isoalloxazine, 6,7-dichloro-10-(3-(N-(2-hydroxyethyl)ethylamino)propyl)-, sulfate
IUPAC: 3-(6,7-dichloro-2,4-dioxobenzo[g]pteridin-10-yl)propyl-ethyl-(2-hydroxyethyl)azanium;hydrogen sulfate

Names & synonyms

Isoalloxazine, 6,7-dichloro-10-(3-(N-(2-hydroxyethyl)ethylamino)propyl)-, sulfate101652-05-5DTXSID701441026,7-Dichloro-10-(3-(N-(2-hydroxyethyl)ethylamino)propyl)isoalloxazine sulfateRefChem:349527DTXCID40665933-(6,7-dichloro-2,4-dioxo-3,4-dihydrobenzo[g]pteridin-10(2h)-yl)-n-ethyl-n-(2-hydroxyethyl)propan-1-aminium hydrogen sulfate

Database identifiers

CAS: 101652-05-5
PubChem CID: 58677
DTXSID: DTXSID70144102

Properties

Computed structural properties

Topological polar surface area: 185 Å²
Hydrogen bond donors: 4
Hydrogen bond acceptors: 8
Rotatable bonds: 7
Heavy atoms: 32
Formal charge: 0
Complexity: 732

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