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CHEMISTRY
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ACTIVE PHARMA INGREDIENTS

3 API Suppliers, 3 USDMF

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1 DATA COMPILATION #PharmaFlow

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Synopsis

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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

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 Formula	C₁₂H₁₈ClNO₄
Molecular Weight	275.73 g/mol
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	5
Exact Mass	275.0924357 g/mol
Monoisotopic Mass	275.0924357 g/mol
Topological Polar Surface Area	92.8 Å²
Heavy Atom Count	18
Formal Charge	0
Complexity	271
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	2

4 Drug and Medication Information

4.1 Drug Information

1 of 2
Drug Name	Methyldopate hydrochloride
PubMed Health	Methyldopate Hydrochloride (Injection)
Drug Classes	Antihypertensive, Cardiovascular Agent
Active Ingredient	Methyldopate hydrochloride
Dosage Form	Injectable
Route	Injection
Strength	50mg/ml
Market Status	Prescription
Company	Luitpold

2 of 2
Drug Name	Methyldopate hydrochloride
PubMed Health	Methyldopate Hydrochloride (Injection)
Drug Classes	Antihypertensive, Cardiovascular Agent
Active Ingredient	Methyldopate hydrochloride
Dosage Form	Injectable
Route	Injection
Strength	50mg/ml
Market Status	Prescription
Company	Luitpold