CS-1002831
Dolutegravir Impurity 65
Manufacturer: ChemScene
CAS Number: 2244161-74-6
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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
C₂₉H₂₆F₄N₄O₆
Molecular Weight
602.53
Synonyms
None
SMILES
O(C)C1=C2N(C=C(C(NCC3=C(F)C=C(F)C=C3)=O)C1=O)C=CN([C@@H](CCOC(NCC4=C(F)C=C(F)C=C4)=O)C)C2=O
Tpsa
120.14
Logp
3.8337
H Acceptors
8
H Donors
2
Rotatable Bonds
10
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: C₂₉H₂₆F₄N₄O₆
Molecular Weight: 602.53
Synonyms: None
SMILES: O(C)C1=C2N(C=C(C(NCC3=C(F)C=C(F)C=C3)=O)C1=O)C=CN([C@@H](CCOC(NCC4=C(F)C=C(F)C=C4)=O)C)C2=O
Tpsa: 120.14
Logp: 3.8337
H Acceptors: 8
H Donors: 2
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:
C₂₉H₂₆F₄N₄O₆
Molecular Weight:
602.53
Synonyms:
None
SMILES:
O(C)C1=C2N(C=C(C(NCC3=C(F)C=C(F)C=C3)=O)C1=O)C=CN([C@@H](CCOC(NCC4=C(F)C=C(F)C=C4)=O)C)C2=O
Tpsa:
120.14
Logp:
3.8337
H Acceptors:
8
H Donors:
2
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: C₂₁H₂₁F₂N₃O₅
Molecular Weight: 433.41
Synonyms: None
SMILES: O(C)C1=C2N(C[C@]3(N(C2=O)[C@H](C)CCO3)[H])C=C(C(NCC4=C(F)C=CC=C4F)=O)C1=O
Tpsa: 89.87
Logp: 1.6558
H Acceptors: 6
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:
C₂₁H₂₁F₂N₃O₅
Molecular Weight:
433.41
Synonyms:
None
SMILES:
O(C)C1=C2N(C[C@]3(N(C2=O)[C@H](C)CCO3)[H])C=C(C(NCC4=C(F)C=CC=C4F)=O)C1=O
Tpsa:
89.87
Logp:
1.6558
H Acceptors:
6
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: C₂₁H₂₂FN₃O₅
Molecular Weight: 415.41
Synonyms: None
SMILES: O(C)C1=C2N(C=C(C(NCC3=C(F)C=CC=C3)=O)C1=O)C[C@]4(N(C2=O)[C@H](C)CCO4)[H]
Tpsa: 89.87
Logp: 1.5167
H Acceptors: 6
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:
C₂₁H₂₂FN₃O₅
Molecular Weight:
415.41
Synonyms:
None
SMILES:
O(C)C1=C2N(C=C(C(NCC3=C(F)C=CC=C3)=O)C1=O)C[C@]4(N(C2=O)[C@H](C)CCO4)[H]
Tpsa:
89.87
Logp:
1.5167
H Acceptors:
6
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: C₁₉H₁₉NO₃
Molecular Weight: 309.36
Synonyms: None
SMILES: O=C(OC)C(C1=CC=C(C=C1)N2C(=O)C=3C=CC=CC3C2)CC
Tpsa: 46.61
Logp: 3.5136
H Acceptors: 3
H Donors: 0
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:
C₁₉H₁₉NO₃
Molecular Weight:
309.36
Synonyms:
None
SMILES:
O=C(OC)C(C1=CC=C(C=C1)N2C(=O)C=3C=CC=CC3C2)CC
Tpsa:
46.61
Logp:
3.5136
H Acceptors:
3
H Donors:
0
Rotatable Bonds:
4