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Chemical structure of 10-Formyl-5,8-dideazafolic acid

GC64726

10-Formyl-5,8-dideazafolic acid

Also known as 2-[[4-[(2-amino-4-oxo-3H-quinazolin-6-yl)methyl-formylamino]benzoyl]amino]pentanedioic acid

10-Formyl-5,8-dideazafolic acid is a thymidylate synthase inhibitor

ChemicalCAS61038-31-1MW467.43FormulaC22H21N5O7
CAS number
61038-31-1
Molecular weight
467.43
Formula
C22H21N5O7
Solubility
DMSO : 50 mg/mL (106·97 mM; Need ultrasonic)
InChIKey
QHUBQNFYSLRYQG-UHFFFAOYSA-N
Catalogue number
GC64726
Brand
GLPBIO
Computed properties PubChem CID 135488791 · XLogP -0.3 · TPSA 191 Ų · H-bond donors 5
XLogP
-0.3
TPSA
191 Ų
H-bond donors
5
H-bond acceptors
8
Rotatable bonds
9
Heavy atoms
34

SMILES C1=CC(=CC=C1C(=O)NC(CCC(=O)O)C(=O)O)N(CC2=CC3=C(C=C2)N=C(NC3=O)N)C=O

Computed descriptors from PubChem (CID 135488791), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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Documents
Lot certificate of analysis and manufacturer SDS are emailed with your order confirmation.
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