Droxidopa

C₉H₁₁NO₅CAS 23651-95-8213.19 g/mol

Open in Covalent MOL file

Alcohol Carboxylic acid Phenol Primary amine

Properties

Molecular formula: C₉H₁₁NO₅
Molar mass: 213.19 g/mol
Exact mass: 213.0637 Da
Melting point: 232–235 °C
logP: -0.46Crippen estimate
Polar surface area: 124.0 Å²
H-bond donors / acceptors: 5 / 5
Rotatable bonds: 3
Stereocentres: S, Rin SMILES atom order

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation97.6% of notifiers

Aggregated from 42 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

23651-95-8

SMILES

N[C@H](C(=O)O)[C@H](O)c1ccc(O)c(O)c1

InChIKey

QXWYKJLNLSIPIN-JGVFFNPUSA-N

InChI

InChI=1S/C9H11NO5/c10-7(9(14)15)8(13)4-1-2-5(11)6(12)3-4/h1-3,7-8,11-13H,10H2,(H,14,15)/t7-,8+/m0/s1

Weigh it out

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

Names and synonyms

17 names · show all

L-Tyrosine, β,3-dihydroxy-, (βR)-
Serine, 3-(3,4-dihydroxyphenyl)-, L-threo-
L-Tyrosine, β,3-dihydroxy-, threo-
(βR)-β,3-Dihydroxy-L-tyrosine
L-Threo-3,4-Dihydroxyphenylserine
Threo-Dopaserine
(-)-Threo-3,4-Dihydroxyphenylserine
L-Threo-3-(3,4-Dihydroxyphenyl)serine
L-Threodops
L-Threo-β-(3,4-Dihydroxyphenyl)serine
L-DOPS
SM 5688
L-Threo-DOPS
DOPS
(2S,3R)-3-(3,4-Dihydroxyphenyl)-2-amino-3-hydroxypropanoic acid
Threo-3-(3,4-Dihydroxyphenyl)-L-serine
Northera

Work with Droxidopa

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

Similar compounds

(±)-3,4-Dihydroxymandelic acid14883-87-561 % similar Dl-Noradrenaline bitartrate3414-63-952 % similar (-)-Norepinephrine (+)-bitartrate51-40-152 % similar D-Dopa5796-17-848 % similar DOPA59-92-748 % similar Dl-dopa63-84-348 % similar (-)-Epinephrine (+)-bitartrate51-42-347 % similar Danshensu76822-21-445 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

4,5-Dimethoxy-2-nitrobenzenemethanol1016-58-6 1,3,5-Trimethoxy-2-nitrobenzene14227-18-0 1-(4-Nitrophenyl)-1,2,3-propanetriol2207-68-3

Elsewhere

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