Title: Dopastin
CAS Registry Number: 37134-80-8
CAS Name: (2E)-N-[(2S)-2-(Hydroxynitrosoamino)-3-methylbutyl]-2-butenamide
Additional Names: N-(2-nitrosohydroxylamino-3-methylbutyl)crotonamide
Molecular Formula: C9H17N3O3
Molecular Weight: 215.25
Percent Composition: C 50.22%, H 7.96%, N 19.52%, O 22.30%
Literature References: Dopamine b-hydroxylase inhibitor isolated from a culture filtrate of a bacterium of the Pseudomonas genus. Prodn, isoln and characterization: Iinuma et al., Agric. Biol. Chem. 38, 2093 (1974). Structure and synthesis: Iinuma et al., ibid. 2099. Biochemical and biological studies: Iinuma et al., ibid. 2107.
Properties: Crystals from acetone + n-hexane or from ethyl ether, mp 116-119°. Monobasic acid, pKa 5.1. [a]D21 -246° (c = 0.5 in alcohol). uv max (0.01N HCl): 215 nm (e 20900).
Melting point: mp 116-119°
pKa: pKa 5.1
Optical Rotation: [a]D21 -246° (c = 0.5 in alcohol)
Absorption maximum: uv max (0.01N HCl): 215 nm (e 20900)
Derivative Type: Copper salt
Molecular Formula: C9H16N3O3.½Cu
Molecular Weight: 246.01
Percent Composition: C 43.94%, H 6.56%, N 17.08%, O 19.51%, Cu 12.92%
Properties: Dark blue needles from ethanol, mp 142-144°.
Melting point: mp 142-144°
Dopexamine Dorzolamide Dosmalfate Dotarizine Dothiepin

CAS number 37134-80-8
PubChem 6434226
ChemSpider 4939169
Jmol-3D images Image 1
Molecular formula C9H17N3O3
Molar mass 215.25 g mol−1
Melting point 116-119 °C[1]
Acidity (pKa) 5.1[1]
Except where noted otherwise, data are given for materials in their standard state (at 25 °C (77 °F), 100 kPa)
Infobox references

Dopastin is a chemical compound produced by the bacteria Pseudomonas No. BAC-125.[2] It was first isolated and characterized in 1972. It is an inhibitor of the enzyme dopamine β-hydroxylase.[3]

Dopastin can be prepared synthetically from L-valinol.[4]