CS-0531585
6-(((4'R,12a'S)-9'-((2,4-Difluorobenzyl)carbamoyl)-4'-methyl-6',8'-dioxo-6',8',12',12a'-tetrahydro-2'H,4'H-spiro[cyclopropane-1,3'-pyrido[1',2':4,5]pyrazino[2,1-b][1,3]oxazin]-7'-yl)oxy)-3,4,5-trihydroxytetrahydro-2H-pyran-2-carboxylic acid Impurity
Manufacturer: ChemScene
CAS Number: None
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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
C₂₈H₂₉F₂N₃O₁₁
Molecular Weight
621.54
Synonyms
None
SMILES
FC1=CC=C(CNC(C2=CN(C[C@@](OCC3(CC3)[C@H]4C)([H])N4C5=O)C5=C(OC6C(O)C(O)C(O)C(C(O)=O)O6)C2=O)=O)C(F)=C1
Tpsa
197.09
Logp
-0.6917
H Acceptors
11
H Donors
5
Rotatable Bonds
6
Other Options
...
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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: C₂₈H₂₉F₂N₃O₁₁
Molecular Weight: 621.54
Synonyms: None
SMILES: FC1=CC=C(CNC(C2=CN(C[C@@](OCC3(CC3)[C@H]4C)([H])N4C5=O)C5=C(OC6C(O)C(O)C(O)C(C(O)=O)O6)C2=O)=O)C(F)=C1
Tpsa: 197.09
Logp: -0.6917
H Acceptors: 11
H Donors: 5
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:
C₂₈H₂₉F₂N₃O₁₁
Molecular Weight:
621.54
Synonyms:
None
SMILES:
FC1=CC=C(CNC(C2=CN(C[C@@](OCC3(CC3)[C@H]4C)([H])N4C5=O)C5=C(OC6C(O)C(O)C(O)C(C(O)=O)O6)C2=O)=O)C(F)=C1
Tpsa:
197.09
Logp:
-0.6917
H Acceptors:
11
H Donors:
5
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: C₁₁H₁₇NO₃
Molecular Weight: 211.26
Synonyms: None
SMILES: CC(C)(C)OC(N1C[C@H](OCC1)C#C)=O
Tpsa: 38.77
Logp: 1.2555
H Acceptors: 3
H Donors: 0
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:
C₁₁H₁₇NO₃
Molecular Weight:
211.26
Synonyms:
None
SMILES:
CC(C)(C)OC(N1C[C@H](OCC1)C#C)=O
Tpsa:
38.77
Logp:
1.2555
H Acceptors:
3
H Donors:
0
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: C₁₇H₂₄BrN₃O₂
Molecular Weight: 382.30
Synonyms: None
SMILES: CC(C)(C)OC(N1C[C@@]2(CC1)NC3=NC(C)=C(Br)C=C3CC2)=O
Tpsa: 54.46
Logp: 3.89022
H Acceptors: 4
H Donors: 1
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:
C₁₇H₂₄BrN₃O₂
Molecular Weight:
382.30
Synonyms:
None
SMILES:
CC(C)(C)OC(N1C[C@@]2(CC1)NC3=NC(C)=C(Br)C=C3CC2)=O
Tpsa:
54.46
Logp:
3.89022
H Acceptors:
4
H Donors:
1
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: C₉H₁₀F₃NO₂S
Molecular Weight: 253.24
Synonyms: None
SMILES: O=S(C1=C(C=C(C)C=C1C)N)(C(F)(F)F)=O
Tpsa: 60.16
Logp: 2.17914
H Acceptors: 3
H Donors: 1
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:
C₉H₁₀F₃NO₂S
Molecular Weight:
253.24
Synonyms:
None
SMILES:
O=S(C1=C(C=C(C)C=C1C)N)(C(F)(F)F)=O
Tpsa:
60.16
Logp:
2.17914
H Acceptors:
3
H Donors:
1
Rotatable Bonds:
1