CS-1001609
Pemetrexed Impurity 86
Manufacturer: ChemScene
CAS Number: 15149-61-8
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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([C@H](CCC(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
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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: 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([C@H](CCC(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([C@H](CCC(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: C₄₅H₅₅NO₁₅
Molecular Weight: 849.92
Synonyms: None
SMILES: O(C(C)=O)[C@]12[C@]3([C@H](OC(=O)C4=CC=CC=C4)[C@@]5(O)C(C)(C)C([C@@H](O)C(=O)[C@]3(C)[C@@H](O)C[C@]1(OC2)[H])=C(C)[C@@H](OC([C@@H]([C@@H](NC(OC(C)(C)C)=O)C6=CC=CC=C6)OC(C)=O)=O)C5)[H]
Tpsa: 230.52
Logp: 3.8304
H Acceptors: 15
H Donors: 4
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:
C₄₅H₅₅NO₁₅
Molecular Weight:
849.92
Synonyms:
None
SMILES:
O(C(C)=O)[C@]12[C@]3([C@H](OC(=O)C4=CC=CC=C4)[C@@]5(O)C(C)(C)C([C@@H](O)C(=O)[C@]3(C)[C@@H](O)C[C@]1(OC2)[H])=C(C)[C@@H](OC([C@@H]([C@@H](NC(OC(C)(C)C)=O)C6=CC=CC=C6)OC(C)=O)=O)C5)[H]
Tpsa:
230.52
Logp:
3.8304
H Acceptors:
15
H Donors:
4
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: C₁₄H₉FN₂O
Molecular Weight: 240.23
Synonyms: None
SMILES: O=C(C1=CC=C(F)C=C1)C=2C=CC=3N=CNC3C2
Tpsa: 45.75
Logp: 2.933
H Acceptors: 2
H Donors: 1
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:
C₁₄H₉FN₂O
Molecular Weight:
240.23
Synonyms:
None
SMILES:
O=C(C1=CC=C(F)C=C1)C=2C=CC=3N=CNC3C2
Tpsa:
45.75
Logp:
2.933
H Acceptors:
2
H Donors:
1
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: C₁₃H₁₈O₂
Molecular Weight: 206.28
Synonyms: None
SMILES: OCC(O)(C=1C=CC=CC1)C2CCCC2
Tpsa: 40.46
Logp: 2.0567
H Acceptors: 2
H Donors: 2
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:
C₁₃H₁₈O₂
Molecular Weight:
206.28
Synonyms:
None
SMILES:
OCC(O)(C=1C=CC=CC1)C2CCCC2
Tpsa:
40.46
Logp:
2.0567
H Acceptors:
2
H Donors:
2
Rotatable Bonds:
3