AG003A0Z

58-05-9 | (2S)-2-[[4-[(2-Amino-5-formyl-4-oxo-1,6,7,8-tetrahydropteridin-6-yl)methylamino]benzoyl]amino]pentanedioic acid

AG003A0Z

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CAS Number	58-05-9
Catalog Number	AG003A0Z(AGN-PC-0SOZ5L)
Chemical Name	(2S)-2-[[4-[(2-Amino-5-formyl-4-oxo-1,6,7,8-tetrahydropteridin-6-yl)methylamino]benzoyl]amino]pentanedioic acid
IUPAC Name	(2S)-2-[[4-[(2-amino-5-formyl-4-oxo-3,6,7,8-tetrahydropteridin-6-yl)methylamino]benzoyl]amino]pentanedioic acid
InChI	InChI=1S/C20H23N7O7/c21-20-25-16-15(18(32)26-20)27(9-28)12(8-23-16)7-22-11-3-1-10(2-4-11)17(31)24-13(19(33)34)5-6-14(29)30/h1-4,9,12-13,22H,5-8H2,(H,24,31)(H,29,30)(H,33,34)(H4,21,23,25,26,32)/t12?,13-/m0/s1
InChI Key	VVIAGPKUTFNRDU-ABLWVSNPSA-N
MDL Number	MFCD00867488
Molecular Formula	C20H23N7O7
Molecular Weight	473.4393
SMILES	NC=1NC=2NCC(N(C2C(N1)=O)C=O)CNC1=CC=C(C(=O)N[C@H](C(=O)O)CCC(=O)O)C=C1
Synonyms	5 Formyltetrahydrofolate, 5 Formyltetrahydropteroylglutamate, 5-Formyltetrahydrofolate, 5-Formyltetrahydropteroylglutamate, Acid, Folinic, Calcium Folinate, Calcium Leucovorin, Citrovorum Factor, Factor, Citrovorum, Folinate, Calcium, Folinic Acid, Folinic Acid SF, Folinic Acid-SF, Leucovorin, Leucovorin, (D)-Isomer, Leucovorin, (DL)-Isomer, Leucovorin, (R)-Isomer, Leucovorin, Calcium, Leucovorin, Calcium (1:1) Salt, Leucovorin, Calcium (1:1) Salt, (DL)-Isomer, Leucovorin, Calcium (1:1) Salt, Pentahydrate, Leucovorin, Monosodium Salt, Leukovorin, Leukovorum, Monosodium Salt Leucovorin, N(5)-Formyltetrahydrofolate, Wellcovorin, leucovorin, folinic acid, 5-Formyltetrahydrofolic acid, Acide folinique, Leucovorinum, N5-Formyltetrahydrofolic acid, 58-05-9, Wellcovorin, 10-Formyl-7,8-dihydrofolic acid, 5-Formyl-5,6,7,8-tetrahydrofolic acid, folinate, N5-Formyl-5,6,7,8-tetrahydrofolic acid, Welcovorin, Leucal, Folinic acid-SF, 5-Formyl-5,6,7,8-tetrahydropteroyl-L-glutamic acid, l-Leucovorin, CHEBI:15640, (5-formyl-5,6,7,8-tetrahydropteroyl)glutamate, VVIAGPKUTFNRDU-ABLWVSNPSA-N, Leucovorinum (acid), Leucovorin [USAN], N-(5-formyl-5,6,7,8-tetrahydropteroyl)-L-glutamic acid, (2S)-2-[[4-[(2-amino-5-formyl-4-oxo-1,6,7,8-tetrahydropteridin-6-yl)methylamino]benzoyl]amino]pentanedioic acid, HSDB 6544, Leucoverin, EINECS 200-361-6, [3H]folinic acid, 5-formyltetrahydrofolate, NSC3590, N-[4-({[2-amino-5-formyl-4-oxo-3,4,5,6,7,8-hexahydropteridin-6-yl]methyl}amino)benzoyl]-L-glutamic acid, CHEMBL69905, Levocovorin, 5-Formyltetrahydropteroylglutamic acid, Citrovoeum factor, 1492-18-8, L(-)-5-Formyl-5,6,7,8-tetrahydrofolic acid, L-(+)-Folinic acid, Spectrum_000859, AC1L1LLF, 5-Formyl-tetrahydrofolate, Prestwick0_000738, Prestwick1_000738, Prestwick2_000738, Prestwick3_000738, Spectrum2_000116, Spectrum3_000479, Spectrum4_000031, Spectrum5_000910, SCHEMBL8349, CHEMBL1679, 5-formyltetrahydro-folic acid, BSPBio_000696, BSPBio_002218, KBioGR_000461, KBioSS_001339, DivK1c_000222, SPBio_000132, SPBio_002635, BPBio1_000766, GTPL4816, GTPL6690, DTXSID0048216, SCHEMBL10068238, KBio1_000222, KBio2_001339, KBio2_003907, KBio2_006475, KBio3_001438, NINDS_000222, DW385, Glutamic acid, N-(p-(((2-amino-5-formyl-5,6,7,8-tetrahydro-4-hydroxy-6-pteridinyl)methyl)amino)benzoyl)-, L-, L-Glutamic acid, N-(4-(((2-amino-5-formyl-1,4,5,6,7,8-hexahydro-4-oxo-6-pteridinyl)methyl)amino)benzoyl)-, BDBM50039121, MFCD00867488, AKOS015961207, CS-2989, DB00650, IDI1_000222, AC-13429, AN-49327, BC206228, HY-17556, SBI-0051427.P003, SD-204098, BRD-A75919782-238-01-8, (2S)-2-(4-((2-amino-5-formyl-4-oxo-1,4,5,6,7,8-hexahydropteridin-6-yl)methylamino)benzamido)pentanedioic acid, (2S)-2-[(4-{[(2-amino-5-formyl-4-oxo-1,4,5,6,7,8-hexahydropteridin-6-yl)methyl]amino}phenyl)formamido]pentanedioic acid, (S)-2-{4-[(2-Amino-5-formyl-4-oxo-1,4,5,6,7,8-hexahydro-pteridin-6-ylmethyl)-amino]-benzoylamino}-pentanedioic acid, 2-{4-[(2-Amino-5-formyl-4-oxo-1,4,5,6,7,8-hexahydro-pteridin-6-ylmethyl)-amino]-benzoylamino}-pentanedioic acid, L-Glutamic acid, N-[4-[[(2-amino-5-formyl-3,4,5,6,7,8-hexahydro-4-oxo-6-pteridinyl)methyl]amino]benzoyl]-, N-[4-[[(2-Amino-5-formyl-1,4,5,6,7,8-hexahydro-4-oxo-6(RS)-pteridinyl)methyl]amino]benzoyl]-L-glutamic acid, calcium folinate, Lederfoline, Rescuvolin, Folidan, Sodium folinate, Calcii folinas, Folinato calcico, Calcium leucovorin, Calcium L-folinate, Folinate de calcium, folinic acid calcium, Folinate-SF Calcium, LEUCOVORIN CALCIUM, Folinic acid calcium salt, Leucovorin calcium salt, UNII-Q573I9DVLP, Calcium citrovorum factor, Leucovorin calcium [USP], D0R4PS, UNII-RPR1R4C0P4, Leucovorin Calcium [USAN], Q573I9DVLP, Calcii folinas [INN-Latin], C20H21CaN7O7, Folinic acid-SF, calcium salt, Calcium 5-formyltetrahydrofolate, Folinato calcico [INN-Spanish], CID6006, C20H23N7O7, Folinate de calcium [INN-French], C20-H21-N7-O7.Ca, (+)-L-Folinic acid, calcium salt, Leucovorin calcium preservative free, NSC 3590, EINECS 216-082-8, Folinic acid calcium salt pentahydrate, C20-H23-N7-O7, CF, Calcium N-(p-((((6RS)-2-amino-5-formyl-5,6,7,8-tetrahydro-4-hydroxy-6-pteridinyl)methyl)amino)benzoyl)-L-glutamate (1:1), Glutamic acid, N-[p-[[(2-amino-5-formyl-5,6,7,8-tetrahydro-4-hydroxy-6-pteridinyl)methyl]amino]benzoyl]-, calcium salt (1:1), L-, L-Glutamic acid, N-[4-[[(2-amino-5-formyl-1,4,5,6,7,8-hexahydro-4-oxo-6-pteridinyl)methyl]amino]benzoyl]-, calcium salt (1:1), L-Glutamic acid, N-[4-[[(2-amino-5-formyl-1,4,5,6,7,8-hexahydro-4-oxo-6-pteridinyl)methyl]amino]benzoyl]-, calcium salt(1:1),

Complexity	911
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Exact Mass	473.166g/mol
Formal Charge	0
Heavy Atom Count	34
Hydrogen Bond Acceptor Count	10
Hydrogen Bond Donor Count	7
Isotope Atom Count	0
Molecular Weight	473.446g/mol
Monoisotopic Mass	473.166g/mol
Rotatable Bond Count	9
Topological Polar Surface Area	216A^2
Undefined Atom Stereocenter Count	1
Undefined Bond Stereocenter Count	0
XLogP3	-1.2

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P280-P301+P312-P302+P352-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number