CS-1000875
L-Glutamic acid, N-[4-[2-(2-amino-4,7-dihydro-4-oxo-3H-pyrrolo[2,3-d]pyrimidin-5-yl)ethyl]benzoyl]-, 1-methyl ester, sodium salt 1:1
Manufacturer: ChemScene
CAS Number: 1265908-61-9
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Purity
≥95%
MDL No
None
Storage
Sealed in dry,2-8℃
Shipping
Room temperature in continental US; may vary elsewhere.
Molecular Formula
C₂₁H₂₃N₅NaO₆
Molecular Weight
464.43
Synonyms
None
SMILES
C(CC1=CC=C(C(N[C@@H](CCC(O)=O)C(OC)=O)=O)C=C1)C=2C3=C(NC2)NC(N)=NC3=O.[Na]
Tpsa
180.26
Logp
0.374
H Acceptors
7
H Donors
5
Rotatable Bonds
9
Other Options
| Image | Product Name | Manufacturer | Price Range | |
|---|---|---|---|---|
 | 1265908-61-9 | Pemetrexed methyl ester sodium | A2B Chem | ₹ 49,624.80 |
SAFETY INFORMATION
ghsPictogramUrl
https://dev-s3.chemscene.com/web-image/physicalization/irritant.svg
Pictograms
Signal Word
Warning
UN Number
N/A
Class
N/A
Packing Group
N/A
Hazard Statements
Precautionary Statements
P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501
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Purity: ≥95%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₂₁H₂₃N₅NaO₆
Molecular Weight: 464.43
Synonyms: None
SMILES: C(CC1=CC=C(C(N[C@@H](CCC(O)=O)C(OC)=O)=O)C=C1)C=2C3=C(NC2)NC(N)=NC3=O.[Na]
Tpsa: 180.26
Logp: 0.374
H Acceptors: 7
H Donors: 5
Rotatable Bonds: 9
Purity:
≥95%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₂₁H₂₃N₅NaO₆
Molecular Weight:
464.43
Synonyms:
None
SMILES:
C(CC1=CC=C(C(N[C@@H](CCC(O)=O)C(OC)=O)=O)C=C1)C=2C3=C(NC2)NC(N)=NC3=O.[Na]
Tpsa:
180.26
Logp:
0.374
H Acceptors:
7
H Donors:
5
Rotatable Bonds:
9
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₈H₂₂O₅S
Molecular Weight: 350.43
Synonyms: None
SMILES: C[C@@]12[C@](C=3[C@@](C=4C(CC3)=CC(OS(=O)(=O)O)=CC4)(CC1)[H])(CC[C@@H]2O)[H]
Tpsa: 83.83
Logp: 3.0053
H Acceptors: 4
H Donors: 2
Rotatable Bonds: 2
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₈H₂₂O₅S
Molecular Weight:
350.43
Synonyms:
None
SMILES:
C[C@@]12[C@](C=3[C@@](C=4C(CC3)=CC(OS(=O)(=O)O)=CC4)(CC1)[H])(CC[C@@H]2O)[H]
Tpsa:
83.83
Logp:
3.0053
H Acceptors:
4
H Donors:
2
Rotatable Bonds:
2
Purity: ≥95%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₂₂H₁₇N₃O₄
Molecular Weight: 387.39
Synonyms: None
SMILES: O=C(OC)C1=CC=C(C=C1)N2N=C(N=C2C=3C=CC=CC3O)C=4C=CC=CC4O
Tpsa: 97.47
Logp: 3.7991
H Acceptors: 7
H Donors: 2
Rotatable Bonds: 4
Purity:
≥95%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₂₂H₁₇N₃O₄
Molecular Weight:
387.39
Synonyms:
None
SMILES:
O=C(OC)C1=CC=C(C=C1)N2N=C(N=C2C=3C=CC=CC3O)C=4C=CC=CC4O
Tpsa:
97.47
Logp:
3.7991
H Acceptors:
7
H Donors:
2
Rotatable Bonds:
4
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₉H₂₆I₃N₃O₉
Molecular Weight: 821.14
Synonyms: None
SMILES: O=C(NCC(O)CO)C=1C(I)=C(C(=O)NCC(O)CO)C(I)=C(C1I)N(C(=O)COC)CCO
Tpsa: 188.89
Logp: -1.3619
H Acceptors: 9
H Donors: 7
Rotatable Bonds: 13
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₉H₂₆I₃N₃O₉
Molecular Weight:
821.14
Synonyms:
None
SMILES:
O=C(NCC(O)CO)C=1C(I)=C(C(=O)NCC(O)CO)C(I)=C(C1I)N(C(=O)COC)CCO
Tpsa:
188.89
Logp:
-1.3619
H Acceptors:
9
H Donors:
7
Rotatable Bonds:
13