4-[(2,4-diaminopteridin-6-yl)methyl-methylamino]benzoic acid,hydrochloride

Modify Date: 2025-09-23 16:50:58

4-[(2,4-diaminopteridin-6-yl)methyl-methylamino]benzoic acid,hydrochloride Structure
4-[(2,4-diaminopteridin-6-yl)methyl-methylamino]benzoic acid,hydrochloride structure
Common Name 4-[(2,4-diaminopteridin-6-yl)methyl-methylamino]benzoic acid,hydrochloride
CAS Number 70844-48-3 Molecular Weight 687.11200
Density N/A Boiling Point N/A
Molecular Formula C30H31ClN14O4 Melting Point N/A
MSDS N/A Flash Point N/A
Symbol GHS07
GHS07
Signal Word Warning

 Names

Name 4-[(2,4-diaminopteridin-6-yl)methyl-methylamino]benzoic acid,hydrochloride
Synonym More Synonyms

 Chemical & Physical Properties

Molecular Formula C30H31ClN14O4
Molecular Weight 687.11200
Exact Mass 686.23400
PSA 289.74000
LogP 3.66220
InChIKey WWFYKUISNIJHNQ-UHFFFAOYSA-N
SMILES CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)O)cc1.CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)O)cc1.Cl

 Safety Information

Symbol GHS07
GHS07
Signal Word Warning
Hazard Statements H317
Precautionary Statements P280
RIDADR NONH for all modes of transport

 Synonyms

Methotrexate related compound E [USP]
Methotrexate related compound E
Benzoic acid,4-(((2,4-diamino-6-pteridinyl)methyl)methylamino)-,hydrochloride (2:1)
4-Amino-4-deoxy-N10-methylpteroic acid,hemihydrochloride
UNII-037BJM6602
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