Pemetrexed glutamide
Basic information
- CAS
144051-68-3- Standard SMILES
Nc1nc2[nH]cc(CCc3ccc(C(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)O)C(=O)O)C(=O)O)cc3)c2c(=O)[nH]1- InChIKey
COZFORXRWZIVED-HOTGVXAUSA-N- Molecular formula
- C25H28N6O9
- Average molar mass
- 556.5 g/mol
- Monoisotopic mass
- 556.19177649
Names & identifiers
- Preferred name
- Pemetrexed glutamide
- IUPAC
- (2S)-2-[[(4S)-4-[[4-[2-(2-amino-4-oxo-3,7-dihydropyrrolo[2,3-d]pyrimidin-5-yl)ethyl]benzoyl]amino]-4-carboxybutanoyl]amino]pentanedioic acid
- English name
- PeMetrexed EP IMpurity D
- Molecular formula
- C25H28N6O9
- Molecular weight
- 556.53
Names & synonyms
144051-68-3Pemetrexed L-glutamic acidDW7GW4VJ2CPEMETREXED GLUTAMIDEPemetrexed disodium heptahydrate impurity D [EP]PEMETREXED DISODIUM HEPTAHYDRATE IMPURITY D [EP IMPURITY](4-(2-(2-AMINO-4-OXO-4,7-DIHYDRO-1H-PYRROLO(2,3-D)PYRIMIDIN-5-YL)ETHYL)BENZOYL)-4-L-GLUTAMYL-L-GLUTAMIC ACIDPEMETREXED DISODIUM HEPTAHYDRATE IMPURITY D (EP IMPURITY)RefChem:202534Pemetrexed disodium heptahydrate impurity DPemetrexed EP Impurity D((S)-4-(4-(2-(2-Amino-4-oxo-4,7-dihydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl)ethyl)benzamido)-4-carboxybutanoyl)-L-glutamic acid
Show more names
Pemetrexed impurity D, 95%minPemetrexed Disodium Heptahydrate EP Impurity D(2S)-2-[[(4S)-4-[[4-[2-(2-Amino-4-oxo-4,7-dihydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl)ethyl]benzoyl]aminN-[4-[2-(2-Amino-4,7-dihydro-4-oxo-3H-pyrrolo[2,3-d]pyrimidin-5-yl)ethyl]benzoyl]-L-γ-glutamyl-L-glutamic acidN-[4-[2-(2-Amino-4,7-dihydro-4-oxo-3H-pyrrolo[2,3-d]pyrimidin-5-yl)ethyl]benzoyl]-L-gamma-glutamyl-L-glutamic acid(S)-2-((S)-4-(4-(2-(2-amino-4-oxo-4,7-dihydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl)ethyl)benzamido)-4-carboxybutanamido)pentanedioicPemetrexed impurity 3/Pemetrexed EP Impurity D/((S)-4-(4-(2-(2-amino-4-oxo-4,7-dihydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl)ethyl)benzamido)-4-carboxybutanoyl)-L-glutamic acid
Database identifiers
- CAS
144051-68-3- PubChem CID
- 135877968
- UNII
- DW7GW4VJ2C
- EC Number
- 805-168-6
Properties
Computed structural properties
- XLogP
- -0.5
- Topological polar surface area
- 253 Ų
- Hydrogen bond donors
- 8
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 14
- Heavy atoms
- 40
- Formal charge
- 0
- Complexity
- 1,030
Physicochemical properties
- Density
- 1.61 · 1.61±0.1 g/cm3(Predicted)
- pka
- 3.39 · 3.39±0.10(Predicted)
- FDA UNII
- 7 GW4VJ2C · DW7GW4VJ2C
- Symbol(GHS)
- 7 · GHS07,GHS08
- Signal word
- Danger
- Hazard statements
- 373 · H373-H319-H315-H360-H341
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-P201-P202-P281-P308+P313-P405-P501-P260-P314-P501-P264-P280-P305+P351+P338-P337+P313P
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Danger
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P203, P260, P264, P264+P265, P270, P280, P302+P352, P305+P351+P338, P318, P319, P321, P332+P317, P337+P317, P362+P364, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- Signal word
- Danger
- Symbol(GHS)
- GHS07,GHS08
- Hazard statements
- H373-H319-H315-H360-H341
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P201-P202-P281-P308+P313-P405-P501-P260-P314-P501-P264-P280-P305+P351+P338-P337+P313P
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…