CS-1013888
Raltegravir EP Impurity F
Manufacturer: ChemScene
CAS Number: 2138805-56-6
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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
C₂₂H₂₇FN₆O₆
Molecular Weight
490.48
Synonyms
None
SMILES
O=C(NN=C(OCC)C)C(=O)NC(C1=NC(C(=O)C(=O)N1C)=C(O)NCC2=CC=C(F)C=C2)(C)C
Tpsa
161.79
Logp
0.4629
H Acceptors
9
H Donors
4
Rotatable Bonds
7
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: C₂₂H₂₇FN₆O₆
Molecular Weight: 490.48
Synonyms: None
SMILES: O=C(NN=C(OCC)C)C(=O)NC(C1=NC(C(=O)C(=O)N1C)=C(O)NCC2=CC=C(F)C=C2)(C)C
Tpsa: 161.79
Logp: 0.4629
H Acceptors: 9
H Donors: 4
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:
C₂₂H₂₇FN₆O₆
Molecular Weight:
490.48
Synonyms:
None
SMILES:
O=C(NN=C(OCC)C)C(=O)NC(C1=NC(C(=O)C(=O)N1C)=C(O)NCC2=CC=C(F)C=C2)(C)C
Tpsa:
161.79
Logp:
0.4629
H Acceptors:
9
H Donors:
4
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: C₂₁H₂₇FN₄O₄
Molecular Weight: 418.46
Synonyms: None
SMILES: O=C(NCC1=CC=C(F)C=C1)C=2N=C(N(C(=O)C2OC(=O)C(C)(C)C)C)C(N)(C)C
Tpsa: 116.31
Logp: 1.9947
H Acceptors: 7
H Donors: 2
Rotatable Bonds: 5
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₂₁H₂₇FN₄O₄
Molecular Weight:
418.46
Synonyms:
None
SMILES:
O=C(NCC1=CC=C(F)C=C1)C=2N=C(N(C(=O)C2OC(=O)C(C)(C)C)C)C(N)(C)C
Tpsa:
116.31
Logp:
1.9947
H Acceptors:
7
H Donors:
2
Rotatable Bonds:
5
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₂₃H₃₀N₂O₅
Molecular Weight: 414.49
Synonyms: None
SMILES: O[C@@]12N([C@@]3([C@](C1)(CCC3)[H])[H])C(=O)[C@H](C)N([C@H](C(OCC)=O)CCC4=CC=CC=C4)C2=O
Tpsa: 87.15
Logp: 1.8712
H Acceptors: 5
H Donors: 1
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:
C₂₃H₃₀N₂O₅
Molecular Weight:
414.49
Synonyms:
None
SMILES:
O[C@@]12N([C@@]3([C@](C1)(CCC3)[H])[H])C(=O)[C@H](C)N([C@H](C(OCC)=O)CCC4=CC=CC=C4)C2=O
Tpsa:
87.15
Logp:
1.8712
H Acceptors:
5
H Donors:
1
Rotatable Bonds:
6
Purity: 95%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₀H₁₀N₂
Molecular Weight: 158.20
Synonyms: None
SMILES: C(=C/C#N)\C1=CC(C)=C(N)C=C1
Tpsa: 49.81
Logp: 2.114
H Acceptors: 2
H Donors: 1
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:
C₁₀H₁₀N₂
Molecular Weight:
158.20
Synonyms:
None
SMILES:
C(=C/C#N)\C1=CC(C)=C(N)C=C1
Tpsa:
49.81
Logp:
2.114
H Acceptors:
2
H Donors:
1
Rotatable Bonds:
1