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Chemistry

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Also known as: Amino acids, essential, Amino acids, essential-, E500000000
Molecular Formula
C52H94N10O17S
Molecular Weight
1163.4  g/mol
InChI Key
CSARAUHTYFKILW-HGFMUWJKSA-N

Amino Acids Mixture
Amino acids that are not synthesized by the human body in amounts sufficient to carry out physiological functions. They are obtained from dietary foodstuffs.
1 2D Structure

Amino Acids Mixture

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
(2S,3R)-2-amino-3-hydroxybutanoic acid;(2S)-2-amino-3-(1H-indol-3-yl)propanoic acid;(2S)-2-amino-3-methylbutanoic acid;(2S)-2-amino-4-methylpentanoic acid;(2S,3S)-2-amino-3-methylpentanoic acid;(2S)-2-amino-4-methylsulfanylbutanoic acid;(2S)-2-amino-3-phenylpropanoic acid;(2S)-2,6-diaminohexanoic acid
2.1.2 InChI
InChI=1S/C11H12N2O2.C9H11NO2.C6H14N2O2.2C6H13NO2.C5H11NO2S.C5H11NO2.C4H9NO3/c12-9(11(14)15)5-7-6-13-10-4-2-1-3-8(7)10;10-8(9(11)12)6-7-4-2-1-3-5-7;7-4-2-1-3-5(8)6(9)10;1-4(2)3-5(7)6(8)9;1-3-4(2)5(7)6(8)9;1-9-3-2-4(6)5(7)8;1-3(2)4(6)5(7)8;1-2(6)3(5)4(7)8/h1-4,6,9,13H,5,12H2,(H,14,15);1-5,8H,6,10H2,(H,11,12);5H,1-4,7-8H2,(H,9,10);2*4-5H,3,7H2,1-2H3,(H,8,9);4H,2-3,6H2,1H3,(H,7,8);3-4H,6H2,1-2H3,(H,7,8);2-3,6H,5H2,1H3,(H,7,8)/t9-;8-;2*5-;4-,5-;2*4-;2-,3+/m00000001/s1
2.1.3 InChI Key
CSARAUHTYFKILW-HGFMUWJKSA-N
2.1.4 Canonical SMILES
CCC(C)C(C(=O)O)N.CC(C)CC(C(=O)O)N.CC(C)C(C(=O)O)N.CC(C(C(=O)O)N)O.CSCCC(C(=O)O)N.C1=CC=C(C=C1)CC(C(=O)O)N.C1=CC=C2C(=C1)C(=CN2)CC(C(=O)O)N.C(CCN)CC(C(=O)O)N
2.1.5 Isomeric SMILES
CC[C@H](C)[C@@H](C(=O)O)N.C[C@H]([C@@H](C(=O)O)N)O.CC(C)C[C@@H](C(=O)O)N.CC(C)[C@@H](C(=O)O)N.CSCC[C@@H](C(=O)O)N.C1=CC=C(C=C1)C[C@@H](C(=O)O)N.C1=CC=C2C(=C1)C(=CN2)C[C@@H](C(=O)O)N.C(CCN)C[C@@H](C(=O)O)N
2.2 Synonyms
2.2.1 MeSH Synonyms

1. Acid, Essential Amino

2. Acids, Essential Amino

3. Amino Acid, Essential

4. Amino Acids, Essential

5. Essential Amino Acid

2.2.2 Depositor-Supplied Synonyms

1. Amino Acids, Essential

2. Amino Acids, Essential-

3. E500000000

2.3 Create Date
2012-03-21
3 Chemical and Physical Properties
Molecular Weight 1163.4 g/mol
Molecular Formula C52H94N10O17S
Hydrogen Bond Donor Count19
Hydrogen Bond Acceptor Count27
Rotatable Bond Count25
Exact Mass1162.65191274 g/mol
Monoisotopic Mass1162.65191274 g/mol
Topological Polar Surface Area594 Ų
Heavy Atom Count80
Formal Charge0
Complexity988
Isotope Atom Count0
Defined Atom Stereocenter Count10
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count8

DRUG PRODUCT COMPOSITIONS

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DOSAGE - INJECTABLE;INJECTION - 10% (10GM/100...DOSAGE - INJECTABLE;INJECTION - 10% (10GM/100ML)

USFDA APPLICATION NUMBER - 19018

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DOSAGE - INJECTABLE;INJECTION - 6% (6GM/100ML...DOSAGE - INJECTABLE;INJECTION - 6% (6GM/100ML)

USFDA APPLICATION NUMBER - 19018

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DOSAGE - EMULSION;INTRAVENOUS - 2.4%;20MG/100...DOSAGE - EMULSION;INTRAVENOUS - 2.4%;20MG/100ML;6.8GM/100ML;68MG/100ML;124MG/100ML;170MG/100ML;105MG/100ML;3.5GM/100ML (1440ML)

USFDA APPLICATION NUMBER - 200656

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DOSAGE - EMULSION;INTRAVENOUS - 2.4%;20MG/100...DOSAGE - EMULSION;INTRAVENOUS - 2.4%;20MG/100ML;6.8GM/100ML;68MG/100ML;124MG/100ML;170MG/100ML;105MG/100ML;3.5GM/100ML (1920ML)

USFDA APPLICATION NUMBER - 200656

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DOSAGE - EMULSION;INTRAVENOUS - 2.4%;20MG/100...DOSAGE - EMULSION;INTRAVENOUS - 2.4%;20MG/100ML;6.8GM/100ML;68MG/100ML;124MG/100ML;170MG/100ML ;105MG/100ML;3.5GM/100ML (2400ML)

USFDA APPLICATION NUMBER - 200656

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DOSAGE - EMULSION;INTRAVENOUS - 3.3%;29MG/100...DOSAGE - EMULSION;INTRAVENOUS - 3.3%;29MG/100ML;9.8GM/100ML;96MG/100ML;174MG/100ML;239MG/100ML ;147MG/100ML;3.9GM/100ML (1026ML)

USFDA APPLICATION NUMBER - 200656

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DOSAGE - EMULSION;INTRAVENOUS - 3.3%;29MG/100...DOSAGE - EMULSION;INTRAVENOUS - 3.3%;29MG/100ML;9.8GM/100ML;96MG/100ML;174MG/100ML;239MG/100ML;147MG/100ML;3.9GM/100ML (1540ML)

USFDA APPLICATION NUMBER - 200656

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DOSAGE - EMULSION;INTRAVENOUS - 3.3%;29MG/100...DOSAGE - EMULSION;INTRAVENOUS - 3.3%;29MG/100ML;9.8GM/100ML;96MG/100ML;174MG/100ML;239MG/100ML;147MG/100ML;3.9GM/100ML (2053ML)

USFDA APPLICATION NUMBER - 200656

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DOSAGE - EMULSION;INTRAVENOUS - 3.3%;29MG/100...DOSAGE - EMULSION;INTRAVENOUS - 3.3%;29MG/100ML;9.8GM/100ML;96MG/100ML;174MG/100ML;239MG/100ML;147MG/100ML;3.9GM/100ML (2566ML)

USFDA APPLICATION NUMBER - 200656

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