chempirical

Synephrine tartrate

C13H19NO8CAS 16589-24-5317.29 g/mol

Open in Covalent MOL file
HNHOOHOHOOHOHOOH
AlcoholCarboxylic acidPhenolSecondary amine

Properties

Molecular formula
C13H19NO8
Molar mass
317.29 g/mol
Exact mass
317.1111 Da
Melting point
188–190 °C (decomposes)
logP
-1.48Crippen estimate
Polar surface area
167.6 Ų
H-bond donors / acceptors
7 / 7
Rotatable bonds
6
Stereocentres
R, Rin 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
16589-24-5
SMILES
CNCC(O)c1ccc(O)cc1.O=C(O)[C@H](O)[C@@H](O)C(=O)O
InChIKey
GOVGCYCBKCCFIR-LREBCSMRSA-N
InChI
InChI=1S/C9H13NO2.C4H6O6/c1-10-6-9(12)7-2-4-8(11)5-3-7;5-1(3(7)8)2(6)4(9)10/h2-5,9-12H,6H2,1H3;1-2,5-6H,(H,7,8)(H,9,10)/t;1-,2-/m.1/s1

Weigh it out

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

Names and synonyms

12 names
  • Benzenemethanol, 4-hydroxy-α-[(methylamino)methyl]-, (2R,3R)-2,3-dihydroxybutanedioate (2:1)
  • Benzyl alcohol, p-hydroxy-α-[(methylamino)methyl]-, tartrate (2:1) (salt)
  • Benzenemethanol, 4-hydroxy-α-[(methylamino)methyl]-, [R-(R*,R*)]-2,3-dihydroxybutanedioate (2:1) (salt)
  • Benzenemethanol, 4-hydroxy-α-[(methylamino)methyl]-, (2R,3R)-2,3-dihydroxybutanedioate (2:1) (salt)
  • Oxedrine tartrate
  • Sympathomim
  • Corvasymton
  • (±)-Synephrine tartrate
  • Dl-Synephrine
  • (±)-Oxedrine tartrate
  • DL-p-Synephrine
  • Simpadren

Work with Synephrine tartrate

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.

Tartaric acid87-69-4Free acid D-Tartaric acid147-71-7Free acid, enantiomer DL-Tartaric acid133-37-9Free acid, enantiomer 2,3-Dihydroxybutanedioic acid526-83-0Free acid, stereo not defined Synephrine94-07-5Free base Synephrine582-84-3Free base Potassium bitartrate868-14-4Salt Sodium tartrate868-18-8Salt Potassium sodium tartrate304-59-6Salt Potassium tartrate921-53-9Salt N,N-Dimethylethanolamine bitartrate5988-51-2Salt (-)-Epinephrine (+)-bitartrate51-42-3Salt

Similar compounds

(-)-Phenylephrine59-42-751 % similar (±)-Adrenaline329-65-749 % similar (-)-3,4-Dihydroxy-α-[2-(methylamino)ethyl]benzyl alcohol51-43-449 % similar (-)-Phenylephrine hydrochloride61-76-748 % similar 4-Hydroxymandelic acid1198-84-148 % similar 2-(4-Hydroxyphenyl)propionic acid938-96-546 % similar (±)-Epinephrine hydrochloride329-63-546 % similar (-)-Epinephrine hydrochloride55-31-246 % similar

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

Elsewhere

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