CS-0914199
(3S,11aS)-6-methoxy-3-methyl-5,7-dioxo-2,3,5,7,11,11a-hexahydrooxazolo[3,2-a]pyrido[1,2-d]pyrazine-8-carboxylic acid
Manufacturer: ChemScene
CAS Number: 1646862-21-6
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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
C₁₃H₁₄N₂O₆
Molecular Weight
294.26
Synonyms
None
SMILES
O(C)C1=C2N(C[C@]3(N(C2=O)[C@@H](C)CO3)[H])C=C(C(O)=O)C1=O
Tpsa
98.07
Logp
-0.2443
H Acceptors
6
H Donors
1
Rotatable Bonds
2
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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: C₁₃H₁₄N₂O₆
Molecular Weight: 294.26
Synonyms: None
SMILES: O(C)C1=C2N(C[C@]3(N(C2=O)[C@@H](C)CO3)[H])C=C(C(O)=O)C1=O
Tpsa: 98.07
Logp: -0.2443
H Acceptors: 6
H Donors: 1
Rotatable Bonds: 2
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₃H₁₄N₂O₆
Molecular Weight:
294.26
Synonyms:
None
SMILES:
O(C)C1=C2N(C[C@]3(N(C2=O)[C@@H](C)CO3)[H])C=C(C(O)=O)C1=O
Tpsa:
98.07
Logp:
-0.2443
H Acceptors:
6
H Donors:
1
Rotatable Bonds:
2
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₂₀H₁₉F₂N₃O₅
Molecular Weight: 419.38
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](CO)C)C2=O
Tpsa: 102.04
Logp: 1.2313
H Acceptors: 7
H Donors: 2
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:
C₂₀H₁₉F₂N₃O₅
Molecular Weight:
419.38
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](CO)C)C2=O
Tpsa:
102.04
Logp:
1.2313
H Acceptors:
7
H Donors:
2
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: C₁₉H₁₇F₂N₃O₅
Molecular Weight: 405.35
Synonyms: None
SMILES: O=C1C=2N(C=C(C(NCC3=C(F)C=C(F)C=C3)=O)C(=O)C2O)C=CN1[C@H](CO)C
Tpsa: 113.04
Logp: 0.9283
H Acceptors: 7
H Donors: 3
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:
C₁₉H₁₇F₂N₃O₅
Molecular Weight:
405.35
Synonyms:
None
SMILES:
O=C1C=2N(C=C(C(NCC3=C(F)C=C(F)C=C3)=O)C(=O)C2O)C=CN1[C@H](CO)C
Tpsa:
113.04
Logp:
0.9283
H Acceptors:
7
H Donors:
3
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: C₁₂H₁₂N₂O₆
Molecular Weight: 280.23
Synonyms: None
SMILES: O=C1C=2N(C[C@@]3(N1[C@@H](C)CO3)[H])C=C(C(O)=O)C(=O)C2O
Tpsa: 109.07
Logp: -0.5473
H Acceptors: 6
H Donors: 2
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:
C₁₂H₁₂N₂O₆
Molecular Weight:
280.23
Synonyms:
None
SMILES:
O=C1C=2N(C[C@@]3(N1[C@@H](C)CO3)[H])C=C(C(O)=O)C(=O)C2O
Tpsa:
109.07
Logp:
-0.5473
H Acceptors:
6
H Donors:
2
Rotatable Bonds:
1