AG001HT2

1421-65-4 | L-Tyrosine, 3-hydroxy-, methyl ester, hydrochloride (1:1)

AG001HT2

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CAS Number	1421-65-4
Catalog Number	AG001HT2(AGN-PC-0O2DC2)
Chemical Name	L-Tyrosine, 3-hydroxy-, methyl ester, hydrochloride (1:1)
IUPAC Name	methyl (2S)-2-amino-3-(3,4-dihydroxyphenyl)propanoate;hydrochloride
InChI	InChI=1S/C10H13NO4.ClH/c1-15-10(14)7(11)4-6-2-3-8(12)9(13)5-6;/h2-3,5,7,12-13H,4,11H2,1H3;1H/t7-;/m0./s1
InChI Key	WFGNJLMSYIJWII-FJXQXJEOSA-N
MDL Number	MFCD00038958
Molecular Formula	C10H14ClNO4
Molecular Weight	247.6755
SMILES	O=C(OC)[C@@H](N)CC1=CC=C(O)C(O)=C1.[H]Cl
UNII	JFU1A8866V
Synonyms	dl-dopa methyl ester, dopa methyl ester, (D)-isomer, L-dopa methyl ester, levodopa methyl ester, levodopa methyl ester hydrochloride, levodopa methyl ester hydrochloride, (DL)-isomer, melevodopa, methyl L-dopa, 1421-65-4, (S)-Methyl 2-amino-3-(3,4-dihydroxyphenyl)propanoate hydrochloride, L-3,4-Dihydroxyphenylalanine methyl ester hydrochloride, Methyl L-DOPA hydrochloride, L-Dopa methyl ester hydrochloride, UNII-JFU1A8866V, levodopa methyl ester hydrochloride, L-Tyrosine, 3-hydroxy-, methyl ester, hydrochloride, JFU1A8866V, MFCD00038958, NCGC00093792-01, L-Tyrosine, 3-hydroxy-, methyl ester, hydrochloride (1:1), DSSTox_CID_25763, DSSTox_RID_81105, DSSTox_GSID_45763, Melevodopa hydrochloride, CAS-1421-65-4, L-3,4-Dihydroxyphenylalanine methyl ester hydrochloride, 95%, L-Dopa Me ester hydrochloride, ST 41769, ST-41769, 3,4-Dihydroxy-L-phenylalanine Methyl Ester Hydrochloride, C10H14ClNO4, MLS002153271, SCHEMBL453411, 3,4-Dihydroxyphenyl-l-alanine methyl ester hydrochloride, CHEMBL1255756, DTXSID4045763, Methyl l-3-(3,4-dihydroxyphenyl)alaninate hydrochloride, CTK8B7691, KS-00000GGP, WFGNJLMSYIJWII-FJXQXJEOSA-N, ACT09358, Alanine, 3-(3,4-dihydroxyphenyl)-, methyl ester, hydrochloride, Tox21_111221, Tox21_500356, 6937AA, Alanine, 3-(3,4-dihydroxyphenyl)-, methyl ester, hydrochloride, l-, ANW-58212, AKOS015912904, Tox21_111221_1, CCG-221660, CS-W012679, LP00356, NCGC00162132-03, NCGC00261041-01, AS-10467, SMR001230709, TC-146957, EU-0100356, FT-0633533, ST24036320, D 1507, L-3,4-Dihydroxyphenylalanine Methyl Ester HCl, SR-01000075804, J-007612, SR-01000075804-1, I14-49392, L-3?4-Dihydroxyphenylalanine methyl ester hydrochloride, 3-(3,4-Dihydroxyphenyl)-L-alanine methyl ester hydrochloride, L-3,4-Dihydroxyphenylalanine methyl ester hydrochloride, solid, methyl (2S)-2-amino-3-(3,4-dihydroxyphenyl)propanoate hydrochloride, methyl (2S)-2-amino-3-(3,4-dihydroxyphenyl)propanoate;hydrochloride, ACN-034024, CID10131132, SMR000145236, 3-hydroxy- L-Tyrosine methyl ester, hydrochloride (1:1),

Complexity	222
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	2
Defined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Exact Mass	247.061g/mol
Formal Charge	0
Heavy Atom Count	16
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	4
Isotope Atom Count	0
Molecular Weight	247.675g/mol
Monoisotopic Mass	247.061g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	92.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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