Methyldopa hydrate

Basic Information

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CAS Number

41372-08-1

Molecular Formula

C10H15NO5

Molecular Weight

476.48 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Amines

Fine Chemicals Dyes and Pigments Organic Dyes

Basic Physical Properties

Melting Point

≥300 °C

Boiling Point

No data available

Density

1.403

Water Solubility

0.1-1 g/100 mL at 23 ºC

Flash Point

No data available

Vapor Pressure

No data available

Specific Rotation

-12.5 ~ -14.5° (c=1, in H2O)

SMILES

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CC(CC1=CC(=C(C=C1)O)O)(C(=O)O)N.O

InChI

InChI=1S/2C10H13NO4.3H2O/c2*1-10(11,9(14)15)5-6-2-3-7(12)8(13)4-6;;;/h2*2-4,12-13H,5,11H2,1H3,(H,14,15);3*1H2/t2*10-;;;/m00.../s1

InChIKey

YKFCISHFRZHKHY-NGQGLHOPSA-N

LogP

-1.5894999999999986

Topological Polar Surface Area

302.06 Å²

Hydrogen Bond Donor/Acceptor

16 / 13

Complexity

246

Safety Information

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Hazard Statement

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Stability

Stable, but may be light sensitive. Very hygroscopic. Undergoes catalytic oxygenation in the presence of magnesium, cupric, cobalt, nickel and ferric ions. Store under a dry atmosphere.

Sensitiveness

Air & Light Sensitive

Synonyms & References

English

L-(-)--Methyldopa (hydrate)
(S)-2-Amino-3-(3,4-dihydroxyphenyl)-2-methylpropionic acid sesquihydrate
L-Tyrosine, 3-hydroxy-a-methyl-, hydrate (2:3)
Racemic methyldopa
3-(3 pound not4-DIHYDROXYPHENYL)-2-METHYL-
MFCD00149280
AS-13288
alpha-Methyldopa sesquihydrate
a-Methyl-L-dopasesquihydrate
(-)-3-(3,4-Dihydroxyphenyl)-2-methyl-L-alanine sesquihydrate
SCHEMBL17747949
MK-351 hydrate;Methyldopa hydrate
41372-08-1
(S)-2-amino-3-(3,4-dihydroxyphenyl)-2-methylpropanoic acid hydrate
A825537
(2S)-2-amino-3-(3,4-dihydroxyphenyl)-2-methylpropanoic acid;hydrate
CHEMBL4063475
Methyldopa for system suitability
BCP13422
AKOS024348864
METHYLDOPA SESQUIHYDRATE
alpha-Methyl-L-dopa sesquihydrate
L-(-)-alpha-Methyldopa (hydrate)
L-Methyldopa
α-Methyldopa
Methyldopa
Carbidopa
(-)-3,4-Dihydroxy-alpha-methyl-L-phenylalanine sesquihydrate
α-Methyl-L-DOPA
(-)-3-(3,4-DIHYDROXYPHENYL)-2-METHYL-L-ALANINE SESQUIHYDRATE
3-Hydroxy-alpha-methyltyrosine

MDL Number

MFCD30179484

FAQ

What is Methyldopa hydrate (CAS: 41372-08-1)?

Methyldopa hydrate (CAS: 41372-08-1) is a compound used primarily in pharmaceutical applications. Its chemical formula is C9H13NO4·H2O, and it is a white crystalline solid with hygroscopic properties. It is commonly used as a prodrug for the antihypertensive agent alpha-methyldopa, which is effective in lowering blood pressure.

What are the main uses of Methyldopa hydrate (CAS: 41372-08-1)?

Methyldopa hydrate (CAS: 41372-08-1) is mainly used in the pharmaceutical industry as a precursor to alpha-methyldopa, a medication for hypertension. It is also used in research for studying its metabolic pathways and in drug development for creating more stable formulations of antihypertensive drugs.

Is Methyldopa hydrate (CAS: 41372-08-1) safe?

Methyldopa hydrate (CAS: 41372-08-1) is generally considered safe when used as directed in pharmaceutical applications. However, it should be handled with care, avoiding direct contact with skin and eyes. Proper storage and adherence to safety guidelines are essential to ensure its stability and prevent contamination.

How should Methyldopa hydrate (CAS: 41372-08-1) be stored?

Methyldopa hydrate (CAS: 41372-08-1) should be stored in a cool, dry, and dark place, away from moisture and direct sunlight. It is typically kept in a sealed container at a temperature below 25°C and humidity levels below 60%. Proper storage helps maintain its chemical stability and prolong shelf life.