CS-1004460
Methotrexate Impurity 39
Manufacturer: ChemScene
CAS Number: 65148-63-2
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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
C₂₂H₂₆N₈O₅
Molecular Weight
482.49
Synonyms
None
SMILES
NC=1C2=C(N=CC(CN(C)C3=CC=C(C(N[C@H](C(OCC)=O)CCC(O)=O)=O)C=C3)=N2)N=C(N)N1
Tpsa
199.54
Logp
0.7469
H Acceptors
11
H Donors
4
Rotatable Bonds
10
Related Products
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: C₂₂H₂₆N₈O₅
Molecular Weight: 482.49
Synonyms: None
SMILES: NC=1C2=C(N=CC(CN(C)C3=CC=C(C(N[C@H](C(OCC)=O)CCC(O)=O)=O)C=C3)=N2)N=C(N)N1
Tpsa: 199.54
Logp: 0.7469
H Acceptors: 11
H Donors: 4
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:
C₂₂H₂₆N₈O₅
Molecular Weight:
482.49
Synonyms:
None
SMILES:
NC=1C2=C(N=CC(CN(C)C3=CC=C(C(N[C@H](C(OCC)=O)CCC(O)=O)=O)C=C3)=N2)N=C(N)N1
Tpsa:
199.54
Logp:
0.7469
H Acceptors:
11
H Donors:
4
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: C₂₂H₂₆N₈O₅
Molecular Weight: 482.49
Synonyms: None
SMILES: NC=1C2=C(N=CC(CN(C)C3=CC=C(C(N[C@@H](CCC(OCC)=O)C(O)=O)=O)C=C3)=N2)N=C(N)N1
Tpsa: 199.54
Logp: 0.7469
H Acceptors: 11
H Donors: 4
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:
C₂₂H₂₆N₈O₅
Molecular Weight:
482.49
Synonyms:
None
SMILES:
NC=1C2=C(N=CC(CN(C)C3=CC=C(C(N[C@@H](CCC(OCC)=O)C(O)=O)=O)C=C3)=N2)N=C(N)N1
Tpsa:
199.54
Logp:
0.7469
H Acceptors:
11
H Donors:
4
Rotatable Bonds:
10
Purity: 95%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₉H₁₄O₇
Molecular Weight: 354.31
Synonyms: None
SMILES: O=C(OC1=CC=CC=2C(=O)C3=CC(=CC(OC(=O)C)=C3C(=O)C12)CO)C
Tpsa: 106.97
Logp: 1.8049
H Acceptors: 7
H Donors: 1
Rotatable Bonds: 3
Purity:
95%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₉H₁₄O₇
Molecular Weight:
354.31
Synonyms:
None
SMILES:
O=C(OC1=CC=CC=2C(=O)C3=CC(=CC(OC(=O)C)=C3C(=O)C12)CO)C
Tpsa:
106.97
Logp:
1.8049
H Acceptors:
7
H Donors:
1
Rotatable Bonds:
3
Purity: 97%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₉H₈N₂O₃
Molecular Weight: 192.17
Synonyms: None
SMILES: O=C(O)CC1=C(O)N=C2C=CC=CN21
Tpsa: 74.83
Logp: 0.667
H Acceptors: 4
H Donors: 2
Rotatable Bonds: 2
Purity:
97%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₉H₈N₂O₃
Molecular Weight:
192.17
Synonyms:
None
SMILES:
O=C(O)CC1=C(O)N=C2C=CC=CN21
Tpsa:
74.83
Logp:
0.667
H Acceptors:
4
H Donors:
2
Rotatable Bonds:
2