Pemetrexed dipotassium heptahydrate
Basic information
- CAS
2668267-29-4- Standard SMILES
Nc1nc2[nH]cc(CCc3ccc(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])cc3)c2c(=O)[nH]1.O.O.O.O.O.O.O.[K+].[K+]- InChIKey
FQKJPRAWOBYLAF-MYXYZBIASA-L- Molecular formula
- C20H33K2N5O13
- Average molar mass
- 629.7 g/mol
- Monoisotopic mass
- 629.1348991
Names & identifiers
- Preferred name
- Pemetrexed dipotassium heptahydrate
- IUPAC
- dipotassium;(2S)-2-[[4-[2-(2-amino-4-oxo-3,7-dihydropyrrolo[2,3-d]pyrimidin-5-yl)ethyl]benzoyl]amino]pentanedioate;heptahydrate
Names & synonyms
Pemetrexed dipotassium heptahydrate2668267-29-4Axtle (TN)E8ZV34J2QYD13147Dipotassium;(2S)-2-[[4-[2-(2-amino-4-oxo-3,7-dihydropyrrolo[2,3-d]pyrimidin-5-yl)ethyl]benzoyl]amino]pentanedioate;heptahydrateL-Glutamic acid, N-[4-[2-(2-amino-4,7-dihydro-4-oxo-3H-pyrrolo[2,3-d]pyrimidin-5-yl)ethyl]benzoyl]-, potassium salt, hydrate (1:2:7)
Database identifiers
- CAS
2668267-29-4- PubChem CID
- 136238656
- UNII
- E8ZV34J2QY
Properties
Computed structural properties
- Topological polar surface area
- 200 Ų
- Hydrogen bond donors
- 11
- Hydrogen bond acceptors
- 14
- Rotatable bonds
- 7
- Heavy atoms
- 40
- Formal charge
- 0
- Complexity
- 737
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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