CS-0914106
(4S,12aR)-7-methoxy-4-methyl-6,8-dioxo-3,4,6,8,12,12a-hexahydro-2H-pyrido[1',2':4,5]pyrazino[2,1-b][1,3]oxazine-9-carboxylic acid
Manufacturer: ChemScene
CAS Number: 2583719-60-0
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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
C₁₄H₁₆N₂O₆
Molecular Weight
308.29
Synonyms
None
SMILES
O(C)C1=C2N(C[C@@]3(N(C2=O)[C@@H](C)CCO3)[H])C=C(C(O)=O)C1=O
Tpsa
98.07
Logp
0.1458
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: C₁₄H₁₆N₂O₆
Molecular Weight: 308.29
Synonyms: None
SMILES: O(C)C1=C2N(C[C@@]3(N(C2=O)[C@@H](C)CCO3)[H])C=C(C(O)=O)C1=O
Tpsa: 98.07
Logp: 0.1458
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:
C₁₄H₁₆N₂O₆
Molecular Weight:
308.29
Synonyms:
None
SMILES:
O(C)C1=C2N(C[C@@]3(N(C2=O)[C@@H](C)CCO3)[H])C=C(C(O)=O)C1=O
Tpsa:
98.07
Logp:
0.1458
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: C₁₇H₂₄BrNO₅
Molecular Weight: 402.28
Synonyms: None
SMILES: CN1[C@@]2([C@]3([C@](O3)([C@]1(C[C@@H](OC([C@H](CO)C4=CC=CC=C4)=O)C2)[H])[H])[H])[H].Br.O
Tpsa: 93.8
Logp: 0.6713
H Acceptors: 5
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:
C₁₇H₂₄BrNO₅
Molecular Weight:
402.28
Synonyms:
None
SMILES:
CN1[C@@]2([C@]3([C@](O3)([C@]1(C[C@@H](OC([C@H](CO)C4=CC=CC=C4)=O)C2)[H])[H])[H])[H].Br.O
Tpsa:
93.8
Logp:
0.6713
H Acceptors:
5
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: C₂₀H₂₈BrNO₄
Molecular Weight: 426.34
Synonyms: None
SMILES: [Br-].O=C(OC1CC2C3OC3C(C1)[N+]2(C)CCC)C(C=4C=CC=CC4)CO
Tpsa: 59.06
Logp: -1.1531
H Acceptors: 4
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:
C₂₀H₂₈BrNO₄
Molecular Weight:
426.34
Synonyms:
None
SMILES:
[Br-].O=C(OC1CC2C3OC3C(C1)[N+]2(C)CCC)C(C=4C=CC=CC4)CO
Tpsa:
59.06
Logp:
-1.1531
H Acceptors:
4
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: C₂₀H₂₇NO₄
Molecular Weight: 345.43
Synonyms: None
SMILES: O=C(OC1CC2N(CCCC)C(C1)C3OC32)C(C=4C=CC=CC4)CO
Tpsa: 62.3
Logp: 2.0884
H Acceptors: 5
H Donors: 1
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:
C₂₀H₂₇NO₄
Molecular Weight:
345.43
Synonyms:
None
SMILES:
O=C(OC1CC2N(CCCC)C(C1)C3OC32)C(C=4C=CC=CC4)CO
Tpsa:
62.3
Logp:
2.0884
H Acceptors:
5
H Donors:
1
Rotatable Bonds:
7