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DL-DOPA

DL-DOPA structure

CAS No:
63-84-3
Formula:
C9H11NO4
Chemical Name:
DL-DOPA
Synonyms:
Tyrosine,3-hydroxy-;Alanine,3-(3,4-dihydroxyphenyl)-,DL-;DL-Tyrosine,3-hydroxy-;3-Hydroxytyrosine;(±)-3,4-Dihydroxyphenylalanine;DL-Dioxyphenylalanine;DL-3,4-Dihydroxyphenylalanine;DL-3,4-DOPA;DL-DOPA;(±)-DOPA;DL-Dihydroxyphenylalanine;3-(3,4-Dihydroxyphenyl)-DL-alanine;3,4-Dihydroxy-DL-phenylalanine;(±)-3-(3,4-Dihydroxyphenyl)alanine;3′,4′-Dihydroxyphenylalanine;(R,S)-DOPA;DL-β-(3,4-Dihydroxyphenyl)alanine;DL-3-Hydroxytyrosine;3,4-Dihydroxyphenylalanine;Hydrocaffeic acid,α-amino-;3-(3,4-Dihydroxyphenyl)alanine;Phenylalanine,3,4-dihydroxy-;Benzenepropanoic acid,α-amino-3,4-dihydroxy-;β-(3,4-Dihydroxyphenyl)-α-alanine;2-Amino-3-(3,4-dihydroxyphenyl)propanoic acid;DL-4,5-Dihydroxyphenylalanine;NSC 16940;DL-DOPA;587-45-1;33377-81-0
Categories:
Organic Chemistry > Amides

Description

DL-Dopa is a beta-hydroxylated derivative of phenylalanine.

Solid

Dopa is a hydroxyphenylalanine carrying hydroxy substituents at positions 3 and 4 of the benzene ring. It has a role as a human metabolite. It is a hydroxyphenylalanine, a tyrosine derivative and a non-proteinogenic alpha-amino acid.|A beta-hydroxylated derivative of phenylalanine. The D-form of dihydroxyphenylalanine has less physiologic activity than the L-form and is commonly used experimentally to determine whether the pharmacological effects of LEVODOPA are stereospecific.

DL-DOPA Basic Attributes

Molecular Weight：

197.19

Exact Mass：

197.19

EC Number：

200-566-0

NSC Number：

118368|16940

DSSTox ID：

DTXSID8020549

Characteristics

PSA：

104

XLogP3：

-2.39

Appearance：

Solid

Density：

1.468 g/cm3

Melting Point：

270 °C (decomp)

Boiling Point：

448.39ºC at 760 mmHg

Flash Point：

224.978ºC

Water Solubility：

Soluble in water, 0.5M dilute hydrochloric acid and formic acid. Insoluble in ethanol, benzene, chloroform and ethyl acetate.

Safety Information

Transport codes：

NONH for all modes of transport

wgk germany：

hazard class code：

R36/37/38

safety instructions：

S26-S36

RTECS Number：

AY5250000

Marks：

Stability/Shelf Life：

IN PRESENCE OF MOISTURE RAPIDLY OXIDIZED BY ATMOSPHERIC OXYGEN & DARKENS

Precautionary statement(s)：

P261-P305 + P351 + P338

Hazard Statements：

H315-H319-H335

GHS Classification：

|Warning|H302 (17.02%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 47 companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Drug Information

MeSH：

Any drugs that are used for their effects on dopamine receptors, on the life cycle of dopamine, or on the survival of dopaminergic neurons. (See all compounds classified as Dopamine Agents.)

MeSH Entry Terms：

3 Hydroxy DL tyrosine

Computed Properties

Molecular Weight:197.19
XLogP3:-2.7
Hydrogen Bond Donor Count:4
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:3
Exact Mass:197.06880783
Monoisotopic Mass:197.06880783
Topological Polar Surface Area:104
Heavy Atom Count:14
Complexity:209
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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3,4-Dihydroxy-DL-phenylalanine

CAS No.: 63-84-3

Content: 99.00%

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