chempirical

Metaraminol bitartrate

C13H19NO8CAS 33402-03-8317.29 g/mol

Open in Covalent MOL file
H2NHOOHOHOOHOHOOH
AlcoholCarboxylic acidPhenolPrimary amine

Properties

Molecular formula
C13H19NO8
Molar mass
317.29 g/mol
Exact mass
317.1111 Da
Melting point
176–177 °C
logP
-1.35Crippen estimate
Polar surface area
181.5 Ų
H-bond donors / acceptors
7 / 7
Rotatable bonds
5
Stereocentres
S, R, R, Rin SMILES atom order

Hazards

Danger
Acute Toxic (GHS06)

Aggregated from 40 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P262, P264, P270, P271, P280, P301+P316, P302+P352, P304+P340, P316, P321, P330, P361+P364, P403+P233, P405, P501

Identifiers

CAS number
33402-03-8
SMILES
C[C@H](N)[C@H](O)c1cccc(O)c1.O=C(O)[C@H](O)[C@@H](O)C(=O)O
InChIKey
VENXSELNXQXCNT-IJYXXVHRSA-N
InChI
InChI=1S/C9H13NO2.C4H6O6/c1-6(10)9(12)7-3-2-4-8(11)5-7;5-1(3(7)8)2(6)4(9)10/h2-6,9,11-12H,10H2,1H3;1-2,5-6H,(H,7,8)(H,9,10)/t6-,9-;1-,2-/m01/s1

Weigh it out

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

Names and synonyms

12 names
  • Benzenemethanol, α-[(1S)-1-aminoethyl]-3-hydroxy-, (αR)-, (2R,3R)-2,3-dihydroxybutanedioate (1:1)
  • Benzyl alcohol, α-(1-aminoethyl)-m-hydroxy-, (-)-, tartrate (1:1) (salt)
  • Benzenemethanol, α-(1-aminoethyl)-3-hydroxy-, [R-(R*,S*)]-, [R-(R*,R*)]-2,3-dihydroxybutanedioate (1:1) (salt)
  • Benzenemethanol, α-[(1S)-1-aminoethyl]-3-hydroxy-, (αR)-, (2R,3R)-2,3-dihydroxybutanedioate (1:1) (salt)
  • Aramine
  • (-)-Metaraminol bitartrate
  • Metaraminol tartrate
  • Metaradrine bitartrate
  • Aramine (sympathomimetic)
  • Metaraminol hydrogen tartrate
  • Pressorol
  • Icoral B

Work with Metaraminol bitartrate

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 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 Choline bitartrate87-67-2Salt (-)-Norepinephrine (+)-bitartrate51-40-1Salt

Similar compounds

(+)-Phenylpropanolamine37577-28-948 % similar (-)-Phenylpropanolamine492-41-148 % similar (2R,3S)-3-Phenylisoserine136561-53-046 % similar Phenylpropanolamine hydrochloride154-41-644 % similar D-(-)-Norephedrine hydrochloride3198-15-044 % similar [S-(R*,S*)]-α-(1-Aminoethyl)benzyl alcohol hydrochloride40626-29-744 % similar (2R,3S)-3-Amino-2-hydroxy-3-phenylpropanoic acid hydrochloride132201-32-243 % similar L-M-Tyrosine587-33-742 % similar

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

Elsewhere

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