AG003NSC

41372-08-1 | 3-Hydroxy-α-methyl-L-tyrosine hydrate(2:3)

AG003NSC

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CAS Number	41372-08-1
Catalog Number	AG003NSC(AGN-PC-0RQFKL)
Chemical Name	3-Hydroxy-α-methyl-L-tyrosine hydrate(2:3)
EC Number	609-918-1
IUPAC Name	(2S)-2-amino-3-(3,4-dihydroxyphenyl)-2-methylpropanoic acid;hydrate
InChI	InChI=1S/C10H13NO4.H2O/c1-10(11,9(14)15)5-6-2-3-7(12)8(13)4-6;/h2-4,12-13H,5,11H2,1H3,(H,14,15);1H2/t10-;/m0./s1
InChI Key	XDJUBZFLFDODNF-PPHPATTJSA-N
MDL Number	MFCD00004186
Molecular Formula	C20H32N2O11
Molecular Weight	476.4749
SMILES	N[C@](CC1=CC(O)=C(C=C1)O)(C)C(O)=O.[H]O[H].[H]O[H].[H]O[H].N[C@](CC2=CC(O)=C(C=C2)O)(C)C(O)=O
Synonyms	41372-08-1, L-(-)-|A-Methyldopa hydrate, alpha-Methyl-L-dopa sesquihydrate, alpha-Methyldopa sesquihydrate, MFCD00149280, (S)-2-Amino-3-(3,4-dihydroxyphenyl)-2-methylpropionic acid sesquihydrate, (-)-3-(3,4-Dihydroxyphenyl)-2-methyl-L-alanine sesquihydrate, Methyldopa hydrate, L--Methyl DOPA Hydrate, L-alpha-Methyl DOPA Hydrate, CHEMBL4063475, SCHEMBL17747949, BCP13422, C10H13NO4.1.5H2O, AKOS024348864, AS-13288, H814, SC-11033, ST50825792, 72M081, M-1850, (-)-3-(3,4-DIHYDROXYPHENYL)-2-METHYL-L-ALANINE SES, (S)-2-amino-3-(3,4-dihydroxyphenyl)-2-methylpropanoic acid hydrate, (2S)-2-amino-3-(3,4-dihydroxyphenyl)-2-methylpropanoic acid, oxamethane, methyldopa, Hyperpax, L-Methyldopa, alpha-Methyl-L-dopa, Methyldopa sequihydrate, Methyldopa 1.5-wasser, Methyl dopa sesquihydrate, a-Methyldopa sesquihydrate, METHYLDOPA SESQUIHYDRATE, a-Methyl-L-dopasesquihydrate, CCRIS 1662, UNII-56LH93261Y, C10H13NO4.3/2H2O, Methyldopa [USAN:USP:INN:BAN:JAN], C10-H13-N-O4.3/2H2-O, L-Tyrosine, 3-hydroxy-.alpha.-methyl-, sesquihydrate, L-3-(3,4-Dihydroxyphenyl)-2-methylalanine sesquihydrate, L-Tyrosine, 3-hydroxy-.alpha.-methyl-, hydrate (2:3),

Complexity	246
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	2
Defined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Exact Mass	229.095g/mol
Formal Charge	0
Heavy Atom Count	16
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	5
Isotope Atom Count	0
Molecular Weight	229.232g/mol
Monoisotopic Mass	229.095g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	105A^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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