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Technical details about Arginine Citrate, learn more about the structure, uses, toxicity, action, side effects and more

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2D Structure
1. Also known as: 1221ol1q9f, 93923-89-8, Tri-l-arginine citrate, Unii-1221ol1q9f, Einecs 300-179-8, Dtxsid60239899
Molecular Formula
C24H50N12O13
Molecular Weight
714.7  g/mol
InChI Key
IHOWSFVYYZTGSY-FOIRCHMTSA-N
FDA UNII
1221OL1Q9F

1 2D Structure

2D Structure

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
(2S)-2-amino-5-(diaminomethylideneamino)pentanoic acid;2-hydroxypropane-1,2,3-tricarboxylic acid
2.1.2 InChI
InChI=1S/3C6H14N4O2.C6H8O7/c3*7-4(5(11)12)2-1-3-10-6(8)9;7-3(8)1-6(13,5(11)12)2-4(9)10/h3*4H,1-3,7H2,(H,11,12)(H4,8,9,10);13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)/t3*4-;/m000./s1
2.1.3 InChI Key
IHOWSFVYYZTGSY-FOIRCHMTSA-N
2.1.4 Canonical SMILES
C(CC(C(=O)O)N)CN=C(N)N.C(CC(C(=O)O)N)CN=C(N)N.C(CC(C(=O)O)N)CN=C(N)N.C(C(=O)O)C(CC(=O)O)(C(=O)O)O
2.1.5 Isomeric SMILES
C(C[C@@H](C(=O)O)N)CN=C(N)N.C(C[C@@H](C(=O)O)N)CN=C(N)N.C(C[C@@H](C(=O)O)N)CN=C(N)N.C(C(=O)O)C(CC(=O)O)(C(=O)O)O
2.2 Other Identifiers
2.2.1 UNII
1221OL1Q9F
2.3 Synonyms
2.3.1 Depositor-Supplied Synonyms

1. 1221ol1q9f

2. 93923-89-8

3. Tri-l-arginine Citrate

4. Unii-1221ol1q9f

5. Einecs 300-179-8

6. Dtxsid60239899

7. Arginine Citrate [who-dd]

8. Q27251357

9. L-arginine, 2-hydroxy-1,2,3-propanetricarboxylate (3:1)

2.4 Create Date
2013-07-08
3 Chemical and Physical Properties
Molecular Weight 714.7 g/mol
Molecular Formula C24H50N12O13
Hydrogen Bond Donor Count16
Hydrogen Bond Acceptor Count19
Rotatable Bond Count20
Exact Mass714.36202970 g/mol
Monoisotopic Mass714.36202970 g/mol
Topological Polar Surface Area515 Ų
Heavy Atom Count49
Formal Charge0
Complexity404
Isotope Atom Count0
Defined Atom Stereocenter Count3
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count4
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