Talotrexin Ammonium
azane;2-[[(4S)-4-carboxy-4-[[4-[(2,4-diaminopteridin-6-yl)methylamino]benzoyl]amino]butyl]carbamoyl]benzoic acid
Molecular Identity
Talotrexin Ammonium
azane;2-[[(4S)-4-carboxy-4-[[4-[(2,4-diaminopteridin-6-yl)methylamino]benzoyl]amino]butyl]carbamoyl]benzoic acid
PubChem CID: 9938420
2D Structure
Properties
C27H30N10O6
Molecular Formula
590.60
Molecular Weight
g/mol
590.2350
Exact Mass
Da
249
TPSA
May have limited oral absorption
8
H-Bond Donors
14
H-Bond Acceptors
949
Complexity
SMILES
Canonical SMILES
SMILES: C1=CC=C(C(=C1)C(=O)NCCCC(C(=O)O)NC(=O)C2=CC=C(C=C2)NCC3=CN=C4C(=N3)C(=NC(=N4)N)N)C(=O)O.NIsomeric SMILES
SMILES: C1=CC=C(C(=C1)C(=O)NCCC[C@@H](C(=O)O)NC(=O)C2=CC=C(C=C2)NCC3=CN=C4C(=N3)C(=NC(=N4)N)N)C(=O)O.NSynonyms(20)
Talotrexin ammonium648420-92-2Talotrexin Ammonium [USAN]PT-523UNII-686WJT9102PT523686WJT9102NSC-712783Talotrexin ammonium (USAN)TALOTREXIN AMMONIUM [WHO-DD]2-(((4S)-4-Carboxy-4-((4-(((2,4-diaminopteridin-6-yl)methyl)amino)benzoyl)amino)butyl)carbamoyl)benzoic acid monoammonium saltBENZOIC ACID, 2-((((4S)-4-CARBOXY-4-((4-(((2,4-DIAMINO-6-PTERIDINYL)METHYL)AMINO)BENZOYL)AMINO)BUTYL)AMINO)CARBONYL), MONOAMMONIUM SALT2-[[(4S)-4-Carboxy-4-[[4-[[(2,4-diaminopteridin-6-yl)methyl]amino]benzoyl]amino]butyl]carbamoyl]benzoic acid monoammonium saltRefChem:187325NSC712783
Data from PubChem (NCBI)
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Drug Network
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