Glutamic acid, N-(4-(((2,4-diamino-6-pteridinyl)methyl)methylamino)-3,5-difluorobenzoyl)-
Basic information
- CAS
170969-77-4- Standard SMILES
CN(Cc1cnc2nc(N)nc(N)c2n1)c1c(F)cc(C(=O)NC(CCC(=O)O)C(=O)O)cc1F- InChIKey
WLGUDGOIFDAKHG-UHFFFAOYSA-N- Molecular formula
- C20H20F2N8O5
- Average molar mass
- 490.4 g/mol
- Monoisotopic mass
- 490.15247209
Names & identifiers
- Preferred name
- Glutamic acid, N-(4-(((2,4-diamino-6-pteridinyl)methyl)methylamino)-3,5-difluorobenzoyl)-
- IUPAC
- 2-[[4-[(2,4-diaminopteridin-6-yl)methyl-methylamino]-3,5-difluorobenzoyl]amino]pentanedioic acid
Names & synonyms
ESI69SZS2OGlutamic acid, N-(4-(((2,4-diamino-6-pteridinyl)methyl)methylamino)-3,5-difluorobenzoyl)-3',5'-Difluoromethotrexate, (+/-)-170969-77-42-[[4-[(2,4-diaminopteridin-6-yl)methyl-methylamino]-3,5-difluorobenzoyl]amino]pentanedioic acid2-[[4-[(2,4-Diaminopteridin-6-ylMethyl-Methylamino]-3,5-Difluorobenzoyl]Amino]Pentanedioic AcidNSC136736DL-Glutamic acid, N-(4-(((2,4-diamino-6-pteridinyl)methyl)methylamino)-3,5-difluorobenzoyl)-UNII-ESI69SZS2ODS-011324L-glutamic acid,n-[4-[[(2,4-diamino-6-pteridinyl)methyl]methylamino]-3,5-difluorobenzoyl]-
Database identifiers
- CAS
170969-77-4、34378-64-8- PubChem CID
- 282801
- UNII
- ESI69SZS2O
Properties
Computed structural properties
- XLogP
- -1.2
- Topological polar surface area
- 211 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 14
- Rotatable bonds
- 9
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 770
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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