CS-1002891
Methotrexate Impurity 49
Manufacturer: ChemScene
CAS Number: 22715-34-0
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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
C₄H₇N₅O
Molecular Weight
141.13
Synonyms
None
SMILES
O=C1N=C(N)C(N)=C(N)N1
Tpsa
123.81
Logp
-1.4835
H Acceptors
5
H Donors
4
Rotatable Bonds
0
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: 95%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₄H₇N₅O
Molecular Weight: 141.13
Synonyms: None
SMILES: O=C1N=C(N)C(N)=C(N)N1
Tpsa: 123.81
Logp: -1.4835
H Acceptors: 5
H Donors: 4
Rotatable Bonds: 0
Purity:
95%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₄H₇N₅O
Molecular Weight:
141.13
Synonyms:
None
SMILES:
O=C1N=C(N)C(N)=C(N)N1
Tpsa:
123.81
Logp:
-1.4835
H Acceptors:
5
H Donors:
4
Rotatable Bonds:
0
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₄H₁₈N₂O
Molecular Weight: 230.31
Synonyms: None
SMILES: O=C1[C@]2([C@@](CN1CC3=CC=CC=C3)(NCCC2)[H])[H]
Tpsa: 32.34
Logp: 1.397
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:
C₁₄H₁₈N₂O
Molecular Weight:
230.31
Synonyms:
None
SMILES:
O=C1[C@]2([C@@](CN1CC3=CC=CC=C3)(NCCC2)[H])[H]
Tpsa:
32.34
Logp:
1.397
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: C₂₉H₃₈N₄O₇
Molecular Weight: 554.63
Synonyms: None
SMILES: O[C@]12[C@]([C@H](N(C)C)C(O)=C(C(N)=O)C1=O)(CC=3C(C2=O)=C(O)C=4C(C3)=C(N(C)C)C=C(CNCC(C)(C)C)C4O)[H]
Tpsa: 176.66
Logp: 1.3491
H Acceptors: 10
H Donors: 6
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:
C₂₉H₃₈N₄O₇
Molecular Weight:
554.63
Synonyms:
None
SMILES:
O[C@]12[C@]([C@H](N(C)C)C(O)=C(C(N)=O)C1=O)(CC=3C(C2=O)=C(O)C=4C(C3)=C(N(C)C)C=C(CNCC(C)(C)C)C4O)[H]
Tpsa:
176.66
Logp:
1.3491
H Acceptors:
10
H Donors:
6
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: C₁₈H₂₂O₅
Molecular Weight: 318.36
Synonyms: None
SMILES: O=C(OC)C1=C(OCC2=CC=C(C=C2)C(C(=O)OC)C)CCC1
Tpsa: 61.83
Logp: 3.0907
H Acceptors: 5
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:
C₁₈H₂₂O₅
Molecular Weight:
318.36
Synonyms:
None
SMILES:
O=C(OC)C1=C(OCC2=CC=C(C=C2)C(C(=O)OC)C)CCC1
Tpsa:
61.83
Logp:
3.0907
H Acceptors:
5
H Donors:
0
Rotatable Bonds:
6