Hyoscyamine sulfate

C17H25NO7SCAS 620-61-1387.45 g/mol

Open in Covalent MOL file
NOOOHOSOOHHO
AlcoholEsterTertiary amine

Properties

Molecular formula
C17H25NO7S
Molar mass
387.45 g/mol
Exact mass
387.1352 Da
Melting point
205–206 °C
logP
1.28Crippen estimate
Polar surface area
124.4 Ų
H-bond donors / acceptors
3 / 6
Rotatable bonds
4
Stereocentres
R, S, r, Sin SMILES atom order

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
620-61-1
SMILES
CN1[C@@H]2CC[C@H]1C[C@@H](OC(=O)[C@H](CO)c1ccccc1)C2.O=S(=O)(O)O
InChIKey
VJFQPODMEGSXHC-PGQIENJJSA-N
InChI
InChI=1S/C17H23NO3.H2O4S/c1-18-13-7-8-14(18)10-15(9-13)21-17(20)16(11-19)12-5-3-2-4-6-12;1-5(2,3)4/h2-6,13-16,19H,7-11H2,1H3;(H2,1,2,3,4)/t13-,14+,15+,16-;/m1./s1

Weigh it out

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

Names and synonyms

11 names
  • Benzeneacetic acid, α-(hydroxymethyl)-, (3-endo)-8-methyl-8-azabicyclo[3.2.1]oct-3-yl ester, (αS)-, sulfate (2:1)
  • 1αH,5αH-Tropan-3α-ol, (-)-tropate (ester), sulfate (2:1) (salt)
  • Benzeneacetic acid, α-(hydroxymethyl)-, 8-methyl-8-azabicyclo[3.2.1]oct-3-yl ester, [3(S)-endo]-, sulfate (2:1) (salt)
  • Benzeneacetic acid, α-(hydroxymethyl)-, (3-endo)-8-methyl-8-azabicyclo[3.2.1]oct-3-yl ester, (αS)-, sulfate (2:1) (salt)
  • Hyoscyamine sulfate (2:1) (salt)
  • Levsinex
  • Levsin sulfate
  • Egazil
  • Hyoscyamine sulfate (2:1)
  • Levsin
  • NuLev

Work with Hyoscyamine 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.

Atropine sulfate monohydrate5908-99-6Hydrate, stereoisomer Benzeneacetic acid, α-(hydroxymethyl)-, (αS)-, (3-endo)-8-methyl-8-azabicyclo[3.2.1]oct-3-yl ester, sulfate, hydrate (2:1:2)6835-16-1Hydrate (-)-Atropine101-31-5Free base (±)-Atropine51-55-8Free base, stereoisomer Atropine sulfate55-48-1Stereoisomer Hyoscyamine hydrochloride5934-50-9Salt Hyoscyamine hydrobromide306-03-6Salt

Similar compounds

(-)-Scopolamine138-12-563 % similar (-)-Scopolamine51-34-363 % similar (±)-Homatropine87-00-362 % similar Anisodamine hydrobromide55449-49-562 % similar Scopolamine hydrobromide114-49-859 % similar Scopolamine hydrochloride55-16-359 % similar Homatropine hydrobromide51-56-959 % similar Hyoscine hydrobromide trihydrate6533-68-256 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook