Benserazide hydrochloride

C₁₀H₁₆ClN₃O₅CAS 14919-77-8293.70 g/mol

Open in Covalent MOL file

Alcohol Hydrazone Phenol Primary amine Secondary amine

Properties

Molecular formula: C₁₀H₁₆ClN₃O₅
Molar mass: 293.70 g/mol
Exact mass: 293.0778 Da
Melting point: 146–148 °C
logP: -0.49Crippen estimate
Polar surface area: 151.6 Å²
H-bond donors / acceptors: 7 / 7
Rotatable bonds: 5

Hazards

Warning

H315 Causes skin irritation43% of notifiers
H319 Causes serious eye irritation93.5% of notifiers
H335 May cause respiratory irritation92.5% of notifiers

Aggregated from 93 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

14919-77-8

SMILES

Cl.NC(CO)C(O)=NNCc1ccc(O)c(O)c1O

InChIKey

ULFCBIUXQQYDEI-UHFFFAOYSA-N

InChI

InChI=1S/C10H15N3O5.ClH/c11-6(4-14)10(18)13-12-3-5-1-2-7(15)9(17)8(5)16;/h1-2,6,12,14-17H,3-4,11H2,(H,13,18);1H

Weigh it out

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

Names and synonyms

9 names

Serine, 2-[(2,3,4-trihydroxyphenyl)methyl]hydrazide, hydrochloride (1:1)
Serine, 2-(2,3,4-trihydroxybenzyl)hydrazide, monohydrochloride
DL-Serine, 2-[(2,3,4-trihydroxyphenyl)methyl]hydrazide, monohydrochloride
Serine, 2-[(2,3,4-trihydroxyphenyl)methyl]hydrazide, monohydrochloride
N-(DL-Seryl)-N′-(2,3,4-trihydroxybenzyl)hydrazine hydrochloride
N′-(DL-Seryl)-N′′-(2,3,4-trihydroxybenzyl)hydrazine hydrochloride
DL-Serine N2-(2,3,4-trihydroxybenzyl)hydrazide hydrochloride
Ro 4-4602
Ro 4-4602/001

Work with Benserazide hydrochloride

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.

Benserazide322-35-0Free base

Similar compounds

DL-Serine hydrazide hydrochloride55819-71-142 % similar L-Serinamide hydrochloride65414-74-632 % similar 3-Amino-L-tyrosine dihydrochloride23279-22-331 % similar D-Serine benzyl ester hydrochloride151651-44-430 % similar L-Serine benzyl ester hydrochloride60022-62-030 % similar

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

Elsewhere

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