Basic information
- CAS
672-86-6- Standard SMILES
C[C@@](N)(Cc1ccc(O)cc1)C(=O)O- InChIKey
NHTGHBARYWONDQ-JQHDBZEONA-N- Molecular formula
- C10H13NO3
- Average molar mass
- 195.21 g/mol
- Monoisotopic mass
- 195.08954328
Names & identifiers
- Preferred name
- Metirosine, (R)-
- IUPAC
- (2R)-2-amino-3-(4-hydroxyphenyl)-2-methylpropanoic acid
- English name
- (R)-alpha-Methyl-4-hydroxyphenylalanine, (R)-a-Methyltyrosine (>98%, >98%ee)
- Molecular formula
- C10H13NO3
- Molecular weight
- 195.22
Names & synonyms
Metirosine, (R)-7510J153OTMETYROSINE, (R)-UNII-7510J153OTRefChem:201768672-86-6(R)-2-Amino-3-(4-hydroxyphenyl)-2-methylpropanoic acid(2R)-2-amino-3-(4-hydroxyphenyl)-2-methylpropanoic acidalpha-methyl-D-tyrosineD(+)-metyrosineMFCD08063971Racemetirosine, (R)-
Show more names
98%, >α-Me-D-Tyr-OHH-α-Me-D-Tyr-OHH-alpha-Me-D-Tyr-OHα-Methyl-D-tyrosinea-Methyl-D-tyrosine(R)-Α-METHYLTYROSINE(R)-a-MethyltyrosineAlpha-Methyl-D-Tyr-OH
(R)-2-Amino-3-(4-hydroxyphenyl)-2-methylpropanoicacid(2R)-2-ammonio-3-(4-hydroxyphenyl)-2-methylpropanoate(R)-alpha-Methyltyrosinealpha-Me-D-Tyr-OH(R)-metirosinealpha-Methyl-D-Tyrbeta-Me-D-Tyr-OHd-alpha-methyltyrosine
Database identifiers
- CAS
672-86-6- PubChem CID
- 12650
- ChEMBL
CHEMBL1368961- UNII
- 7510J153OT
- Nikkaji
- J238.538D
Properties
Computed structural properties
- XLogP
- -1.6
- Topological polar surface area
- 83.6 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 211
Physicochemical properties
- Boiling point
- 383.74 · 383.740±32.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.284 · 1.284±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- storage temp.
- 2 · 2-8°C
- form
- Powder
- pka
- 2.293 · 2.293±0.16(predicted)
- color
- White to pale yellow
- InChI
- InChI=1/C10H13NO3/c1-10(11,9(13)14)6-7-2-4-8(12)5-3-7/h2-5,12H,6,11H2,1H3,(H,13,14)/t10-/s3
- InChIKey
- NHTGHBARYWONDQ-JQHDBZEONA-N
- SMILES
- OC(=O)[C@@](C)(CC1C=CC(O)=CC=1)N |&1:3,r|
- FDA UNII
- 7510 J153OT · 7510J153OT
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319
- Precautionary statements
- 261 · P261-P281-P305+P351+P338
- Risk Statements
- 22 · 22-38-40-48/20/22
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
- tsca
- No
- risk_code
- 22-38-40-48/20/22
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- safety_code
- 36/37
- Hazard statements
- H315-H319
- Precautionary statements
- P261-P281-P305+P351+P338
Chemistry & industry
Applications
Usesα-Methyl-D-tyrosine is a derivative of tyrosine used in enantioselective hydrolysis of amino acids.
Suppliers39 total
江苏生康迈翔科技有限公司18217475093 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
上海嘉莱多生物技术有限责任公司021-61732478 19946252459 · [email protected]
上海科斯克尔医药科技有限公司00000000 15021108835 · [email protected]
北京欧凯纳斯生化科技有限公司010-62651721 18610486005 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
重庆张邦医药科技有限责任公司028-84252981 18583719936 · [email protected]
江苏艾康生物医药研发有限公司025-5885952 15955137747 · [email protected]
上海安化生物技术有限公司021-61263375 18168859245
ChemPep, Inc.+1 (888) 615-9178 / (561) 791-8787 · [email protected]
吉尔生化（玉门）有限公司18221406464 18221406464;13236395639 · [email protected]
苏州爱玛特生物科技有限公司0512-56316828 4008675858 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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