CS-1005184
Pemetrexed Impurity 85
Manufacturer: ChemScene
CAS Number: 884381-72-0
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Purity
98%
MDL No
None
Storage
Sealed in dry,2-8℃
Shipping
Room temperature in continental US; may vary elsewhere.
Molecular Formula
C₁₆H₂₈N₂O₇
Molecular Weight
360.40
Synonyms
None
SMILES
[C@H](NC(CC[C@@H](C(OCC)=O)N)=O)(CCC(OCC)=O)C(OCC)=O
Tpsa
134.02
Logp
0.0482
H Acceptors
8
H Donors
2
Rotatable Bonds
12
SAFETY INFORMATION
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: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₆H₂₈N₂O₇
Molecular Weight: 360.40
Synonyms: None
SMILES: [C@H](NC(CC[C@@H](C(OCC)=O)N)=O)(CCC(OCC)=O)C(OCC)=O
Tpsa: 134.02
Logp: 0.0482
H Acceptors: 8
H Donors: 2
Rotatable Bonds: 12
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₆H₂₈N₂O₇
Molecular Weight:
360.40
Synonyms:
None
SMILES:
[C@H](NC(CC[C@@H](C(OCC)=O)N)=O)(CCC(OCC)=O)C(OCC)=O
Tpsa:
134.02
Logp:
0.0482
H Acceptors:
8
H Donors:
2
Rotatable Bonds:
12
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₄H₂₀Cl₂N₂O₂
Molecular Weight: 319.23
Synonyms: None
SMILES: N(CCCl)(CCCl)C1=CC=C(C[C@@H](C(OC)=O)N)C=C1
Tpsa: 55.56
Logp: 2.0134
H Acceptors: 4
H Donors: 1
Rotatable Bonds: 8
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₄H₂₀Cl₂N₂O₂
Molecular Weight:
319.23
Synonyms:
None
SMILES:
N(CCCl)(CCCl)C1=CC=C(C[C@@H](C(OC)=O)N)C=C1
Tpsa:
55.56
Logp:
2.0134
H Acceptors:
4
H Donors:
1
Rotatable Bonds:
8
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₂₄H₂₆N₂O₅S
Molecular Weight: 454.54
Synonyms: None
SMILES: O=C(OCC=1C=CC=CC1)C=2C=C(NCCCC)C(OC=3C=CC=CC3)=C(C2)S(=O)(=O)N
Tpsa: 107.72
Logp: 4.6953
H Acceptors: 6
H Donors: 2
Rotatable Bonds: 10
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₂₄H₂₆N₂O₅S
Molecular Weight:
454.54
Synonyms:
None
SMILES:
O=C(OCC=1C=CC=CC1)C=2C=C(NCCCC)C(OC=3C=CC=CC3)=C(C2)S(=O)(=O)N
Tpsa:
107.72
Logp:
4.6953
H Acceptors:
6
H Donors:
2
Rotatable Bonds:
10
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₁H₁₄N₄O₆
Molecular Weight: 298.25
Synonyms: None
SMILES: O[C@H]1[C@H](N2C3=C(N=C2)C(OC)=NC(=O)N3)O[C@H](CO)[C@H]1O
Tpsa: 142.72
Logp: -2.2603
H Acceptors: 9
H Donors: 4
Rotatable Bonds: 3
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₁H₁₄N₄O₆
Molecular Weight:
298.25
Synonyms:
None
SMILES:
O[C@H]1[C@H](N2C3=C(N=C2)C(OC)=NC(=O)N3)O[C@H](CO)[C@H]1O
Tpsa:
142.72
Logp:
-2.2603
H Acceptors:
9
H Donors:
4
Rotatable Bonds:
3