CS-1003892
Methotrexate Impurity 53
Manufacturer: ChemScene
CAS Number: 43170-88-3
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Purity
97%
MDL No
None
Storage
Sealed in dry,2-8℃
Shipping
Room temperature in continental US; may vary elsewhere.
Molecular Formula
C₂₄H₃₀N₈O₅
Molecular Weight
510.55
Synonyms
None
SMILES
NC=1C2=C(N=CC(CN(C)C3=CC=C(C(N[C@@H](CCC(OCC)=O)C(OCC)=O)=O)C=C3)=N2)N=C(N)N1
Tpsa
188.54
Logp
1.2254
H Acceptors
12
H Donors
3
Rotatable Bonds
11
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SAFETY INFORMATION
Pictograms
Signal Word
Danger
UN Number
2811
Class
6.1
Packing Group
Ⅲ
Hazard Statements
Precautionary Statements
P264-P270-P280-P302+P352-P305+P351+P338-P330-P362+P364-P405-P501
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Purity: 97%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₂₄H₃₀N₈O₅
Molecular Weight: 510.55
Synonyms: None
SMILES: NC=1C2=C(N=CC(CN(C)C3=CC=C(C(N[C@@H](CCC(OCC)=O)C(OCC)=O)=O)C=C3)=N2)N=C(N)N1
Tpsa: 188.54
Logp: 1.2254
H Acceptors: 12
H Donors: 3
Rotatable Bonds: 11
Purity:
97%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₂₄H₃₀N₈O₅
Molecular Weight:
510.55
Synonyms:
None
SMILES:
NC=1C2=C(N=CC(CN(C)C3=CC=C(C(N[C@@H](CCC(OCC)=O)C(OCC)=O)=O)C=C3)=N2)N=C(N)N1
Tpsa:
188.54
Logp:
1.2254
H Acceptors:
12
H Donors:
3
Rotatable Bonds:
11
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₈H₁₁NO
Molecular Weight: 137.18
Synonyms: None
SMILES: ONC1=CC=C(C(=C1)C)C
Tpsa: 32.26
Logp: 2.10454
H Acceptors: 2
H Donors: 2
Rotatable Bonds: 1
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₈H₁₁NO
Molecular Weight:
137.18
Synonyms:
None
SMILES:
ONC1=CC=C(C(=C1)C)C
Tpsa:
32.26
Logp:
2.10454
H Acceptors:
2
H Donors:
2
Rotatable Bonds:
1
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₅H₂₀O₃
Molecular Weight: 248.32
Synonyms: None
SMILES: C(=C/C(CCCCC)=O)\[C@@H]1[C@@]2([C@](C=C1)(OC(=O)C2)[H])[H]
Tpsa: 43.37
Logp: 2.8097
H Acceptors: 3
H Donors: 0
Rotatable Bonds: 6
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₅H₂₀O₃
Molecular Weight:
248.32
Synonyms:
None
SMILES:
C(=C/C(CCCCC)=O)\[C@@H]1[C@@]2([C@](C=C1)(OC(=O)C2)[H])[H]
Tpsa:
43.37
Logp:
2.8097
H Acceptors:
3
H Donors:
0
Rotatable Bonds:
6
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₀H₁₂N₂O₅
Molecular Weight: 240.21
Synonyms: None
SMILES: O[C@@H]1[C@@]2([C@@](N3C(O2)=NC(=O)C(C)=C3)(O[C@H]1CO)[H])[H]
Tpsa: 93.81
Logp: -1.43668
H Acceptors: 7
H Donors: 2
Rotatable Bonds: 1
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₀H₁₂N₂O₅
Molecular Weight:
240.21
Synonyms:
None
SMILES:
O[C@@H]1[C@@]2([C@@](N3C(O2)=NC(=O)C(C)=C3)(O[C@H]1CO)[H])[H]
Tpsa:
93.81
Logp:
-1.43668
H Acceptors:
7
H Donors:
2
Rotatable Bonds:
1