Aminopterin
(2S)-2-[[4-[(2,4-diaminopteridin-6-yl)methylamino]benzoyl]amino]pentanedioic acid
Molecular Identity
Aminopterin
(2S)-2-[[4-[(2,4-diaminopteridin-6-yl)methylamino]benzoyl]amino]pentanedioic acid
PubChem CID: 169371
Aminopterin can cause developmental toxicity and female reproductive toxicity according to an independent committee of scientific and health experts.
2D Structure
Properties
C19H20N8O5
Molecular Formula
440.40
Molecular Weight
g/mol
440.1557
Exact Mass
Da
-2
XLogP
Drug-like (Lipinski: < 5)
219
TPSA
May have limited oral absorption
6
H-Bond Donors
12
H-Bond Acceptors
674
Complexity
SMILES
Canonical SMILES
SMILES: C1=CC(=CC=C1C(=O)NC(CCC(=O)O)C(=O)O)NCC2=CN=C3C(=N2)C(=NC(=N3)N)NIsomeric SMILES
SMILES: C1=CC(=CC=C1C(=O)N[C@@H](CCC(=O)O)C(=O)O)NCC2=CN=C3C(=N2)C(=NC(=N3)N)NSynonyms(20)
aminopterin54-62-64-Aminofolic acid4-Amino-PGAAminopterineAPGAAminopteridine4-Aminopteroylglutamic acidAminopterinumAminotrexateA-NinopterinPteramina4'-Amino-folsaeureNSC 739Folic acid, 4-amino-
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to Aminopterin
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