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Basic information
- CAS
6739-31-7- Standard SMILES
COc1cc(C[C@](C)(N)C(=O)O)ccc1O- InChIKey
BQHWFYPBSKGBMV-NSHDSACASA-N- Molecular formula
- C11H15NO4
- Average molar mass
- 225.244 g/mol
- Monoisotopic mass
- 225.10010796
Names & identifiers
- Preferred name
- 3-Methoxy-alpha-methyltyrosine
- IUPAC
- 3-Methoxy-alpha-methyl-L-tyrosine
- English name
- 3-methoxy-alpha-methyl-L-tyrosine
- Molecular formula
- C11H15NO4
- Molecular weight
- 225.24
Names & synonyms
(S)-2-Amino-3-(4-hydroxy-3-methoxyphenyl)-2-methylpropanoic acidEinecs 229-797-5Methyldopa IMpurity AMethyldopa EP Impurity A3-O-Methyl-L-α-methyldopa3-Methoxy-α-methyl-L-tyrosineL-Tyrosine, 3-methoxy-α-methyl-3-methoxy-alpha-methyl-L-tyrosineTyrosine, 3-methoxy-alpha-methyl-, L-[S,(+)]-3-Methoxy-α-methyl-L-tyrosine
Database identifiers
- CAS
6739-31-7- PubChem CID
- 94331
- DTXSID
DTXSID80986671- ChEMBL
CHEMBL3544652- ChEBI
CHEBI:141143- UNII
- 87SI2AOH39
- EC Number
- 229-797-5
- Nikkaji
- J76.593G
Properties
Physicochemical properties
- Melting point
- 310 °C · 310 °C
- Boiling point
- 407.8 · 407.8±45.0 °C(Predicted)
- Density
- 1.279 · 1.279±0.06 g/cm3(Predicted)
- pka
- 2.28 · 2.28±0.26(Predicted)
- Major Application
- pharmaceutical (small molecule)
- InChI
- 1S/C11H15NO4/c1-11(12,10(14)15)6-7-3-4-8(13)9(5-7)16-2/h3-5,13H,6,12H2,1-2H3,(H,14,15)/t11-/m0/s1
- InChIKey
- BQHWFYPBSKGBMV-NSHDSACASA-N
- SMILES
- COc1cc(C[C@](C)(N)C(O)=O)ccc1O
- FDA UNII
- 87 SI2AOH39 · 87SI2AOH39
- UNSPSC Code
- 41116107 · 41116107
- NACRES
- 24 · NA.24
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H319
- Precautionary statements
- 264 · P264-P270-P280-P301+P312-P305+P351+P338-P337+P313
- Hazard Codes
- Xn
- Risk Statements
- 22 · 22-36
- Safety Statements
- 26 · 26
- WGK Germany
- 3 · WGK 3
- Storage Class
- 11 · 11 - Combustible Solids
- Hazard Classifications
- 4 OralEye · Acute Tox. 4 OralEye Irrit. 2
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- wgk
- WGK 3
- risk_code
- 22-36
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xn
- safety_code
- 26
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H302-H319
- Hazard Classifications
- Acute Tox. 4 OralEye Irrit. 2
- Precautionary statements
- P264-P270-P280-P301+P312-P305+P351+P338-P337+P313
Chemistry & industry
Applications
Uses3-Methoxy-α-methyl-L-tyrosine is a metabolite of methylenedioxyamphetamine (M303965).
Uses3-Methoxy-α-methyl-L-tyrosine (Methyldopa EP Impurity A) is a metabolite of methylenedioxyamphetamine (M303965).
Suppliers26 total
艾吉析科技（上海）有限公司17717235263 · [email protected]
广州隽沐生物科技股份有限公司020-36607679; 13502246435 · [email protected]
广州佳途科技股份有限公司81960175-877 18933936954 · [email protected]
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
Sinco Pharmachem (ShenZhen) R&D Co., Ltd.+86-18603013401 · [email protected]
孟成科技（上海）有限公司400-820-6829 · [email protected]
深圳振强药物研发有限公司0755-66853366 13670046396 · [email protected]
深圳摩科生化科技有限公司18627923403 · [email protected]
坛墨质检科技股份有限公司19850211281 · [email protected]
河南誉康卓宁进出口有限公司13393721940 · [email protected]
艾吉析科技（上海）有限公司17717235263 17717235263 · [email protected]
成都标样生物科技有限公司
Related reactions
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Compound notes
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