CS-1001037
Raltitrexed Impurity 4
Manufacturer: ChemScene
CAS Number: 132462-57-8
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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
C₂₀H₂₀N₄O₆S
Molecular Weight
444.46
Synonyms
None
SMILES
O=C1C=2C(=CC=C(CNC=3SC(C(N[C@@H](CCC(O)=O)C(O)=O)=O)=CC3)C2)NC(C)=N1
Tpsa
161.48
Logp
1.95292
H Acceptors
7
H Donors
5
Rotatable Bonds
9
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: C₂₀H₂₀N₄O₆S
Molecular Weight: 444.46
Synonyms: None
SMILES: O=C1C=2C(=CC=C(CNC=3SC(C(N[C@@H](CCC(O)=O)C(O)=O)=O)=CC3)C2)NC(C)=N1
Tpsa: 161.48
Logp: 1.95292
H Acceptors: 7
H Donors: 5
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:
C₂₀H₂₀N₄O₆S
Molecular Weight:
444.46
Synonyms:
None
SMILES:
O=C1C=2C(=CC=C(CNC=3SC(C(N[C@@H](CCC(O)=O)C(O)=O)=O)=CC3)C2)NC(C)=N1
Tpsa:
161.48
Logp:
1.95292
H Acceptors:
7
H Donors:
5
Rotatable Bonds:
9
Purity: 95%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₀H₁₅NO₂S
Molecular Weight: 213.30
Synonyms: None
SMILES: O=C(OC(C)(C)C)N(C=1SC=CC1)C
Tpsa: 29.54
Logp: 3.1194
H Acceptors: 3
H Donors: 0
Rotatable Bonds: 1
Purity:
95%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₀H₁₅NO₂S
Molecular Weight:
213.30
Synonyms:
None
SMILES:
O=C(OC(C)(C)C)N(C=1SC=CC1)C
Tpsa:
29.54
Logp:
3.1194
H Acceptors:
3
H Donors:
0
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: C₂₀H₂₅N₅O₂S
Molecular Weight: 399.51
Synonyms: None
SMILES: N(C)(C1=C2C(N(S(=O)(=O)C3=CC=C(C)C=C3)C=C2)=NC=N1)[C@@H]4[C@H](C)CCNC4
Tpsa: 80.12
Logp: 2.41092
H Acceptors: 7
H Donors: 1
Rotatable Bonds: 4
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₂₀H₂₅N₅O₂S
Molecular Weight:
399.51
Synonyms:
None
SMILES:
N(C)(C1=C2C(N(S(=O)(=O)C3=CC=C(C)C=C3)C=C2)=NC=N1)[C@@H]4[C@H](C)CCNC4
Tpsa:
80.12
Logp:
2.41092
H Acceptors:
7
H Donors:
1
Rotatable Bonds:
4
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₈H₂₀ClN₃O₄S
Molecular Weight: 409.89
Synonyms: None
SMILES: O=C1N(C2=CC=C(NC[C@@H](CNC(=O)C=3SC(Cl)=CC3)O)C=C2)CCOC1
Tpsa: 90.9
Logp: 1.9675
H Acceptors: 6
H Donors: 3
Rotatable Bonds: 7
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₈H₂₀ClN₃O₄S
Molecular Weight:
409.89
Synonyms:
None
SMILES:
O=C1N(C2=CC=C(NC[C@@H](CNC(=O)C=3SC(Cl)=CC3)O)C=C2)CCOC1
Tpsa:
90.9
Logp:
1.9675
H Acceptors:
6
H Donors:
3
Rotatable Bonds:
7