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Chemistry

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Also known as:
Molecular Formula
C20H23N7O7
Molecular Weight
473.4  g/mol
InChI Key
VVIAGPKUTFNRDU-STQMWFEESA-N

Levoleucovorin
1 2D Structure

Levoleucovorin

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
(2S)-2-[[4-[[(6S)-2-amino-5-formyl-4-oxo-1,6,7,8-tetrahydropteridin-6-yl]methylamino]benzoyl]amino]pentanedioic acid
2.1.2 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
2.1.3 InChI Key
VVIAGPKUTFNRDU-STQMWFEESA-N
2.1.4 Canonical SMILES
C1C(N(C2=C(N1)NC(=NC2=O)N)C=O)CNC3=CC=C(C=C3)C(=O)NC(CCC(=O)O)C(=O)O
2.1.5 Isomeric SMILES
C1[C@@H](N(C2=C(N1)NC(=NC2=O)N)C=O)CNC3=CC=C(C=C3)C(=O)N[C@@H](CCC(=O)O)C(=O)O
2.2 Create Date
2004-09-16
3 Chemical and Physical Properties
Molecular Weight 473.4 g/mol
Molecular Formula C20H23N7O7
XLogP3-1.2
Hydrogen Bond Donor Count7
Hydrogen Bond Acceptor Count9
Rotatable Bond Count9
Exact Mass473.16589610 g/mol
Monoisotopic Mass473.16589610 g/mol
Topological Polar Surface Area216 A^2
Heavy Atom Count34
Formal Charge0
Complexity911
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1

DRUG PRODUCT COMPOSITIONS

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DOSAGE - POWDER;INTRAVENOUS - 175MG/VIAL

USFDA APPLICATION NUMBER - 211226

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DOSAGE - POWDER;INTRAVENOUS - 300MG/VIAL

USFDA APPLICATION NUMBER - 211226

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