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Hexoprenaline Sulfate

CAT: 0572-TRC-H295463-25MGSize: 25 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-H295463-25MGSize:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
32266-10-7
Synonyms
4,4'-[1,6-hexanediylbis[imino(1-hydroxy-2,1-ethanediyl)]]bis-1,2-Benzenediol sulfate (1:1) (salt); Asmadol; Bronalin; Delaprem; Etoscol; Gynebral; Gynipral; Leanol; NSC 292266; ST 1512/SO4
Hazard Statement
Causes skin irritation
Smiles
OC(CNCCCCCCNCC(O)c1ccc(O)c(O)c1)c2ccc(O)c(O)c2.OS(=O)(=O)O
Molecular Formula
C22H32N2O6 . H2SO4
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

Hexoprenaline Sulfate

Hexoprenaline sulfate is an ethanolamine sulfate salt. It is functionally related to a hexoprenaline.

CAS Number32266-10-7
PubChem CID325003
IUPAC Name4-[2-[6-[[2-(3,4-dihydroxyphenyl)-2-hydroxyethyl]amino]hexylamino]-1-hydroxyethyl]benzene-1,2-diol;sulfuric acid
Molecular FormulaC22H34N2O10S
Molecular Weight518.6
Topological Polar Surface Area228
Hydrogen Bond Donor Count10
Hydrogen Bond Acceptor Count12
Rotatable Bond Count13
Heavy Atom Count35
Formal Charge0
Complexity499
SMILES
C1=CC(=C(C=C1C(CNCCCCCCNCC(C2=CC(=C(C=C2)O)O)O)O)O)O.OS(=O)(=O)O
InChI
InChI=1S/C22H32N2O6.H2O4S/c25-17-7-5-15(11-19(17)27)21(29)13-23-9-3-1-2-4-10-24-14-22(30)16-6-8-18(26)20(28)12-16;1-5(2,3)4/h5-8,11-12,21-30H,1-4,9-10,13-14H2;(H2,1,2,3,4)
InChIKey
GTDCHGNGVGRHQY-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Hexoprenaline Sulfate
CAS: 32266-10-7
CID: 325003
Formula: C22H34N2O10S
MW: 518.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight518.6
Hydrogen Bond Donor Count10
Hydrogen Bond Acceptor Count12
Rotatable Bond Count13
Exact Mass518.19341646
Monoisotopic Mass518.19341646
Topological Polar Surface Area228 Ų
Heavy Atom Count35
Formal Charge0
Complexity499
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count2
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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T27540-01Hexoprenaline Sulfate
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AR-H07577-01Hexoprenaline Impurity 2
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