Isoproterenol sulfate

C₂₂H₄₀N₂O₁₂SCAS 6700-39-6556.62 g/mol

Open in Covalent MOL file

Alcohol Phenol Secondary amine

Properties

Molecular formula: C₂₂H₄₀N₂O₁₂S
Molar mass: 556.62 g/mol
Exact mass: 556.2302 Da
logP: -0.04Crippen estimate
Polar surface area: 283.0 Å²
H-bond donors / acceptors: 10 / 10
Rotatable bonds: 8

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number

6700-39-6

SMILES

CC(C)NCC(C1=CC(=C(C=C1)O)O)O.CC(C)NCC(C1=CC(=C(C=C1)O)O)O.O.O.OS(=O)(=O)O

InChIKey

CUQPTVCVZLUXJB-UHFFFAOYSA-N

InChI

InChI=1S/2C11H17NO3.H2O4S.2H2O/c2*1-7(2)12-6-11(15)8-3-4-9(13)10(14)5-8;1-5(2,3)4;;/h2*3-5,7,11-15H,6H2,1-2H3;(H2,1,2,3,4);2*1H2

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

1 names

Isoprenaline sulfate

Work with Isoproterenol sulfate

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

Isoproterenol sulfate299-95-6Anhydrous Isoproterenol7683-59-2Free base (+-)-Isoproterenol hydrochloride51-30-9Salt (±)-Isoproterenol hydrochloride949-36-0Salt Levisoprenaline hydrochloride5984-95-2Salt, defined stereoisomer

Similar compounds

Metaproterenol sulfate5874-97-563 % similar (±)-Adrenaline329-65-751 % similar (-)-3,4-Dihydroxy-α-[2-(methylamino)ethyl]benzyl alcohol51-43-451 % similar Salbutamol sulfate51022-70-950 % similar (±)-Epinephrine hydrochloride329-63-548 % similar (-)-Epinephrine hydrochloride55-31-248 % similar Sotalol3930-20-947 % similar Metaproterenol586-06-146 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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