AG00E8Q2

6035-45-6 | Folinic Acid Calcium Pentahydrate

AG00E8Q2

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CAS Number	6035-45-6
Catalog Number	AG00E8Q2(AGN-PC-0SVUSW)
Chemical Name	Folinic Acid Calcium Pentahydrate
EC Number	216-082-8
IUPAC Name	calcium;(2S)-2-[[4-[(2-amino-5-formyl-4-oxo-3,6,7,8-tetrahydropteridin-6-yl)methylamino]benzoyl]amino]pentanedioate;pentahydrate
InChI	InChI=1S/C20H23N7O7.Ca.5H2O/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);;5*1H2/q;+2;;;;;/p-2/t12?,13-;;;;;;/m0....../s1
InChI Key	NPPBLUASYYNAIG-ZIGBGYJWSA-L
MDL Number	MFCD28978284
Molecular Formula	C20H31CaN7O12
Molecular Weight	601.5778
SMILES	O=CN1C(C2=O)=C(NC(N)=N2)NCC1CNC3=CC=C(C(N[C@H](C([O-])=O)CCC([O-])=O)=O)C=C3.O.O.O.O.[Ca+2].O
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 calcium pentahydrate, Calcium folinatc, Calcium folinate pentahydrate, Sodium folinate, 6035-45-6, Citrovorum factor, calcium folinate, Leucovorin-Calcium, NCGC00017055-01, CAS-6035-45-6, DSSTox_CID_16999, DSSTox_RID_80961, DSSTox_GSID_36999, CHEMBL3184463, DTXSID3036999, Leucovorin calcium salt pentahydrate, Tox21_110760, s1236, ACM41927893, 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), pentahydrate, Calcium;Calcium Folinatc;Citrovorum Factor, AB2000014, AB01568259_01, calcium(2+) (2S)-2-[(4-{[(2-amino-5-formyl-4-oxo-1,6,7,8-tetrahydropteridin-6-yl)methyl]amino}phenyl)formamido]pentanedioate pentahydrate, Glutamic acid, N-(p-(((2-amino-5-formyl-5,6,7,8-tetrahydro-4-hydroxy-6-pteridinyl)methyl)amino)benzoyl)-, calcium salt, pentahydrate, L-, folinic acid, CALCIUM, UNII-R3W57OBQ5W, R3W57OBQ5W, Folinic acid calcium salt pentahydrate, C20H23N7O7.Ca.5H2O, C20-H23-N7-O7.Ca.5H2-O, Glutamic acid, N-[p-[[(2-amino-5-formyl-5,6,7,8-tetrahydro-4-hydroxy-6-pteridinyl)methyl]amino]benzoyl]-, calcium salt, pentahydrate, 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), pentahydrate, 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), pentahydrate, N-(4-(((2-Amino-5-formyl-5,6,7,8-tetrahydro-4-hydroxy-6-pteridinyl)methyl)amino)benzoyl)-L-glutamic acid calcium salt,

Complexity	900
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	7
Defined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Exact Mass	601.166g/mol
Formal Charge	0
Heavy Atom Count	40
Hydrogen Bond Acceptor Count	15
Hydrogen Bond Donor Count	10
Isotope Atom Count	0
Molecular Weight	601.583g/mol
Monoisotopic Mass	601.166g/mol
Rotatable Bond Count	7
Topological Polar Surface Area	226A^2
Undefined Atom Stereocenter Count	1
Undefined Bond Stereocenter Count	0

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H317-H319-H335
Packing Group
Precautionary statements	P261-P280-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number