Basic information
- CAS
55-40-3- Standard SMILES
CC(N)(Cc1ccc(O)c(O)c1)C(=O)O- InChIKey
CJCSPKMFHVPWAR-UHFFFAOYSA-N- Molecular formula
- C10H13NO4
- Average molar mass
- 211.21 g/mol
- Monoisotopic mass
- 211.0844579
Overview
3-Hydroxy-alpha-methyl-DL-tyrosine is a member of benzenes and a monocarboxylic acid.
Names & identifiers
- Preferred name
- Alpha-methyldopa
- IUPAC
- 2-amino-3-(3,4-dihydroxyphenyl)-2-methylpropanoic acid
- English name
- 3-Hydroxy-alpha-methyl-DL-tyrosine
- Molecular formula
- C10H13NO4
- Molecular weight
- 211.21
Names & synonyms
MulfasinMetholesalpha-MethyldopaEINECS 209-088-7EINECS 200-232-4LMethyldopaalphaMethylLdopaLalphaMethyldopa()MethyldopaL(alphaMd)RefChem:5558743HydroxyalphamethylLtyrosine
Show more names
MethydopaDL-METHYLDOPADL-A-METHYL DOPATIMTEC-BB SBB000508DL-ALPHA-METHYL-DOPA(rs)-alpha-methyldopa(+-)-alpha-methyldoparacemicalpha-methyldopa
alphaMethylL3,4dihydroxyphenylalanineLalphaMethyl3,4dihydroxyphenylalanine3(3,4Dihydroxyphenyl)2methylLalanineL()3(3,4Dihydroxyphenyl)2methylalaninealphaMethylbeta(3,4dihydroxyphenyl)LalanineL()alphaMethylbeta(3,4dihydroxyphenyl)alanineL()beta(3,4Dihydroxyphenyl)alphamethylalanineL2Amino2methyl3(3,4dihydroxyphenyl)propionic acid
Database identifiers
- CAS
55-40-3、555-29-3、555-30-6- PubChem CID
- 4138
- DTXSID
DTXSID60970356- ChEMBL
CHEMBL718- ChEBI
CHEBI:180994- UNII
- 33TD13T99R
- EC Number
- 200-232-4、209-088-7
- Nikkaji
- J1.682.491G
Properties
Computed structural properties
- XLogP
- -1.9
- Topological polar surface area
- 104 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 246
Experimental & physicochemical properties
Chemical ClassesOther Uses -> Pharmaceuticals
Human DrugsBreast Feeding; Lactation; Milk, Human; Antihypertensive Agents; Adrenergic alpha-2 Receptor Agonists
Dissociation Constants2.21
Physicochemical properties
- storage temp.
- 20 °C · −20°C
- CAS DataBase Reference
- 555 · 555-29-3(CAS DataBase Reference)
- Hazard Codes
- Xi
- Risk Statements
- 36 · 36
- Safety Statements
- 26 · 26-36/37
- WGK Germany
- 3 · 3
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H315 (19.1%): Causes skin irritation [Warning Skin corrosion/irritation]
P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364 (click each P-code to see the statement)
Aggregated GHS information provided per 47 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazards Summary
Asthma reported in the pharmaceutical industry; [Malo] As an oral medication, methyldopa is used to treat hypertension. Many side effects have been reported after ingestion of therapeutic doses, including immune hemolytic anemia and drug-induced hepatitis. [HSDB]
Hazard Classes and CategoriesSkin Irrit. 2 (19.1%)
Toxicology
Adverse EffectsOccupational hepatotoxin - Secondary hepatotoxins: the potential for toxic effect in the occupational setting is based on cases of poisoning by human ingestion or animal experimentation.
Effects During Pregnancy and Lactation◉ Summary of Use during Lactation
Safety data
- wgk
- 3
- risk_code
- 36
- hazard_code
- Xi
- safety_code
- 26-36/37
Chemistry & industry
Pharmacology
ATC Code
C - Cardiovascular system
QC - Cardiovascular system
Upstream & downstream products
Downstream products
Suppliers27 total
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
上海瀚香生物科技有限公司177-54423994 17754423994 · [email protected]
上海丽康新材料有限公司+86-16631818819 +86-17736933208 · [email protected]
上海御略医药科技有限公司021-60345187 13671753212 · [email protected]
湖北源梦生物科技有限公司027-68897569 18120462897 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354; +1-00000000000 · [email protected]
湖北威德利化学科技有限公司027-83989310 18627915365 · [email protected]
武汉峰耀同辉化学制品有限公司027-87466205 15377579727 · [email protected]
湖北恒绿源科技有限公司027-88188016 18717196322 · [email protected]
厦门志信化学有限公司+86-5922680277 +86-13806087780 · [email protected]
陕西缔都医药化工有限公司029-029-81120477 17792793610 · [email protected]
湖北源梦生物科技有限公司027-68897569 18120462897 · [email protected]
南京罗迈美生物科技有限公司[email protected]
湖北威德利化学科技有限公司027-83991130 18627774460 · [email protected]
威尔曼医药集团有限公司15807197853 18971451745 · [email protected]
武汉研哲科技有限公司15527250409 · [email protected]
杭州洁汉化工有限公司+86-571-86217390; +8618058761490 · [email protected]
武汉峰耀同辉化学制品有限公司027-87466105 15377573527 · [email protected]
厦门盈融达化工有限公司+86-0592-6210733 · [email protected]
career henan chemical co+86-0371-86658258 · [email protected]
江苏洪珉药业有限公司18221292452 · [email protected]
武汉福鑫化工有限公司027-59207852 13308628970 · [email protected]
陕西缔都医药化工有限公司+86-29-87569266 +86-17392581500 · [email protected]
Hefei TNJ Chemical Industry Co.,Ltd.+86-0551-65418671 +86-189 4982 3763 · [email protected]
DONBOO AMINO ACID COMPANY13063595538 · [email protected]
南京世洲生物科技有限公司025-85563444 15850508050 · [email protected]
Wuhan Fortuna Chemical Co., Ltd+86-27-59207850 · [email protected]
Additional notes
DefinitionChEBI: 3-Hydroxy-alpha-methyl-DL-tyrosine is a monocarboxylic acid and a member of benzenes.
Related reactions
2 records
Compound notes
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