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6484-89-5

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Basic Information
CAS No.: 6484-89-5
Name: sodium folate
Molecular Structure:
Molecular Structure of 6484-89-5 (sodium folate)
Formula: C19H17N7Na2O6
Molecular Weight: 485.36112
Synonyms: Folic acid,monosodium salt (8CI);L-Glutamic acid,N-[4-[[(2-amino-1,4-dihydro-4-oxo-6-pteridinyl)methyl]amino]benzoyl]-,monosodium salt (9CI);Folvite Sodium;Sodium folate;Sodium folvite;Sodiumpteroylglutamate;
EINECS: 229-348-3
PSA: 216.11000
LogP: -0.33440
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    sodium folate

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Specification

The L-Glutamic acid,N-[4-[[(2-amino-3,4-dihydro-4-oxo-6-pteridinyl)methyl]amino]benzoyl]-, sodiumsalt (1:1), with the CAS registry number 6484-89-5, is also known as Sodium pteroylglutamate. Its EINECS registry number is 229-348-3. This chemical's molecular formula is C19H17N7Na2O6 and molecular weight is 485.3611. Its IUPAC name is called disodium (2S)-2-[[4-[(2-amino-4-oxo-1H-pteridin-6-yl)methylamino]benzoyl]amino]pentanedioate. This chemical's classification code is Drug / Therapeutic Agent.

Physical properties of L-Glutamic acid,N-[4-[[(2-amino-3,4-dihydro-4-oxo-6-pteridinyl)methyl]amino]benzoyl]-, sodiumsalt (1:1): (1)H-Bond Donor: 4; (2)H-Bond Acceptor: 11; (3)Rotatable Bond Count: 7; (4)Tautomer Count: 60; (5)Exact Mass: 485.103571; (6)MonoIsotopic Mass: 485.103571; (7)Topological Polar Surface Area: 215; (8)Heavy Atom Count: 34; (9)Formal Charge: 0; (10)Complexity: 756; (11)Isotope Atom Count: 0; (12)Defined Atom StereoCenter Count: 1; (13)Covalently-Bonded Unit Count: 3.

You can still convert the following datas into molecular structure:
(1)SMILES: [Na+].[Na+].[O-]C(=O)C(CCC([O-])=O)NC(=O)c1ccc(cc1)NCc2cnc3/N=C(/N)NC(=O)c3n2
(2)InChI: InChI=1/C19H19N7O6.2Na/c20-19-25-15-14(17(30)26-19)23-11(8-22-15)7-21-10-3-1-9(2-4-10)16(29)24-12(18(31)32)5-6-13(27)28;;/h1-4,8,12,21H,5-7H2,(H,24,29)(H,27,28)(H,31,32)(H3,20,22,25,26,30);;/q;2*+1/p-2
(3)InChIKey: SWIRFWUEJODNRG-NUQVWONBAX

The toxicity data is as follows:

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
guinea pig LD50 intravenous 126mg/kg (126mg/kg) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD

KIDNEY, URETER, AND BLADDER: "CHANGES IN TUBULES (INCLUDING ACUTE RENAL FAILURE, ACUTE TUBULAR NECROSIS)"		 Annals of the New York Academy of Sciences. Vol. 48, Pg. 289, 1946.
mouse LD50 intravenous 631mg/kg (631mg/kg) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD

KIDNEY, URETER, AND BLADDER: "CHANGES IN TUBULES (INCLUDING ACUTE RENAL FAILURE, ACUTE TUBULAR NECROSIS)"		 Annals of the New York Academy of Sciences. Vol. 48, Pg. 289, 1946.
rabbit LD50 intravenous 431mg/kg (431mg/kg) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD

KIDNEY, URETER, AND BLADDER: "CHANGES IN TUBULES (INCLUDING ACUTE RENAL FAILURE, ACUTE TUBULAR NECROSIS)"		 Annals of the New York Academy of Sciences. Vol. 48, Pg. 289, 1946.
rat LD50 intravenous 526mg/kg (526mg/kg) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD

KIDNEY, URETER, AND BLADDER: "CHANGES IN TUBULES (INCLUDING ACUTE RENAL FAILURE, ACUTE TUBULAR NECROSIS)"		 Annals of the New York Academy of Sciences. Vol. 48, Pg. 289, 1946.