Basic information
- CAS
30117-45-4- Standard SMILES
O=S(=O)([O-])[O-].Oc1ccc(C(O)C[NH2+]CCCCCC[NH2+]CC(O)c2ccc(O)c(O)c2)cc1O- InChIKey
GTDCHGNGVGRHQY-UHFFFAOYSA-N- Molecular formula
- C22H34N2O10S
- Average molar mass
- 518.6 g/mol
- Monoisotopic mass
- 518.19341646
Overview
See also: Hexoprenaline Sulfate (preferred); Hexoprenaline (has active moiety).
Names & identifiers
- Preferred name
- 1,2-Benzenediol, 4,4'-(1,6-hexanediylbis(imino(1-hydroxy-2,1-ethanediyl)))bis-, sulfate (1:1)
- IUPAC
- [2-(3,4-dihydroxyphenyl)-2-hydroxyethyl]-[6-[[2-(3,4-dihydroxyphenyl)-2-hydroxyethyl]azaniumyl]hexyl]azanium sulfate
- English name
- 4,4'-[hexane-1,6-diylbis[imino(1-hydroxyethylene)]]dipyrocatechol sulphate
- Molecular formula
- C22H34N2O10S
- Molecular weight
- 518.57776
Names & synonyms
HinipralIpradol sulfateBronocholysin sulfateST-1512 sulfateHexoprenaline sulfate [USAN:JAN]EINECS 250-974-8NSC 292266UNII-U851S9102C2,2'-(Hexamethylenediimino)-1,1'-bis(3,4-dihydroxyphenyl)diethanol sulfate4,4'-(Hexane-1,6-diylbis(iminio(1-hydroxyethylene)))dipyrocatecholsulphateN,N'-Bis(2-(3',4'-dihydroxyphenyl)-2-hydroxyethyl)hexamethylenediamine sulfate[2-(3,4-dihydroxyphenyl)-2-hydroxyethyl]-[6-[[2-(3,4-dihydroxyphenyl)-2-hydroxyethyl]azaniumyl]hexyl]azanium;sulfate
Show more names
4,4'-[hexane-1,6-diylbis[imino(1-hydroxyethylene)]]dipyrocatechol sulphate
1,2-Benzenediol, 4,4'-(1,6-hexanediylbis(imino(1-hydroxy-2,1-ethanediyl)))bis-, sulfate (1:1)Benzyl alcohol, alpha,alpha'-(hexamethylenebis(iminomethylene))bis(3,4-dihydroxy-, sulfate (1:1) (salt)
Properties
Computed structural properties
- Topological polar surface area
- 243 Ų
- Hydrogen bond donors
- 8
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 13
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 480
Chemistry & industry
Suppliers1 total
陕西缔都医药化工有限公司029-029-029-81148696 18161915376 · [email protected]
Additional notes
DefinitionChEBI: Hexoprenaline sulfate is an ethanolamine sulfate salt. It is functionally related to a hexoprenaline.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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