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Chemistry

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Also known as: Methyldopatehcl, Pharmakon1600-01505384, Nsc760088, Ft-0770543
Molecular Formula
C12H18ClNO4
Molecular Weight
275.73  g/mol
InChI Key
QSRVZCCJDKYRRF-UHFFFAOYSA-N

Methyldopate Hydrochloride
1 2D Structure

Methyldopate Hydrochloride

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
ethyl 2-amino-3-(3,4-dihydroxyphenyl)-2-methylpropanoate;hydrochloride
2.1.2 InChI
InChI=1S/C12H17NO4.ClH/c1-3-17-11(16)12(2,13)7-8-4-5-9(14)10(15)6-8;/h4-6,14-15H,3,7,13H2,1-2H3;1H
2.1.3 InChI Key
QSRVZCCJDKYRRF-UHFFFAOYSA-N
2.1.4 Canonical SMILES
CCOC(=O)C(C)(CC1=CC(=C(C=C1)O)O)N.Cl
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. Methyldopatehcl

2. Pharmakon1600-01505384

3. Nsc760088

4. Ft-0770543

2.3 Create Date
2007-12-05
3 Chemical and Physical Properties
Molecular Weight 275.73 g/mol
Molecular Formula C12H18ClNO4
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Exact Mass275.0924357 g/mol
Monoisotopic Mass275.0924357 g/mol
Topological Polar Surface Area92.8 Ų
Heavy Atom Count18
Formal Charge0
Complexity271
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count2
4 Drug and Medication Information
4.1 Drug Information
1 of 2  
Drug NameMethyldopate hydrochloride
PubMed HealthMethyldopate Hydrochloride (Injection)
Drug ClassesAntihypertensive, Cardiovascular Agent
Active IngredientMethyldopate hydrochloride
Dosage FormInjectable
RouteInjection
Strength50mg/ml
Market StatusPrescription
CompanyLuitpold

2 of 2  
Drug NameMethyldopate hydrochloride
PubMed HealthMethyldopate Hydrochloride (Injection)
Drug ClassesAntihypertensive, Cardiovascular Agent
Active IngredientMethyldopate hydrochloride
Dosage FormInjectable
RouteInjection
Strength50mg/ml
Market StatusPrescription
CompanyLuitpold

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