CS-1003156
1-[6-[[1-(6-Amino-3,5-difluoro-2-pyridinyl)-3-carboxy-8-chloro-6-fluoro-1,4-dihydro-4-oxo-7-quinolinyl]amino]-3,5-difluoro-2-pyridinyl]-8-chloro-6-fluoro-1,4-dihydro-7-(3-hydroxy-1-azetidinyl)-4-oxo-3-quinolinecarboxylic acid
Manufacturer: ChemScene
CAS Number: 2497737-46-7
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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
C₃₃H₁₇Cl₂F₆N₇O₇
Molecular Weight
808.43
Synonyms
None
SMILES
O=C(O)C1=CN(C2=NC(N)=C(F)C=C2F)C3=C(Cl)C(NC=4N=C(C(F)=CC4F)N5C=C(C(=O)O)C(=O)C6=CC(F)=C(C(Cl)=C65)N7CC(O)C7)=C(F)C=C3C1=O
Tpsa
205.9
Logp
5.1293
H Acceptors
12
H Donors
5
Rotatable Bonds
7
SAFETY INFORMATION
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: C₃₃H₁₇Cl₂F₆N₇O₇
Molecular Weight: 808.43
Synonyms: None
SMILES: O=C(O)C1=CN(C2=NC(N)=C(F)C=C2F)C3=C(Cl)C(NC=4N=C(C(F)=CC4F)N5C=C(C(=O)O)C(=O)C6=CC(F)=C(C(Cl)=C65)N7CC(O)C7)=C(F)C=C3C1=O
Tpsa: 205.9
Logp: 5.1293
H Acceptors: 12
H Donors: 5
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:
C₃₃H₁₇Cl₂F₆N₇O₇
Molecular Weight:
808.43
Synonyms:
None
SMILES:
O=C(O)C1=CN(C2=NC(N)=C(F)C=C2F)C3=C(Cl)C(NC=4N=C(C(F)=CC4F)N5C=C(C(=O)O)C(=O)C6=CC(F)=C(C(Cl)=C65)N7CC(O)C7)=C(F)C=C3C1=O
Tpsa:
205.9
Logp:
5.1293
H Acceptors:
12
H Donors:
5
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: C₃₃H₁₇Cl₂F₆N₇O₇
Molecular Weight: 808.43
Synonyms: None
SMILES: O=C(O)C1=CN(C2=NC(N)=C(F)C=C2F)C3=C(Cl)C(OC4CN(C5=C(F)C=C6C(=O)C(=CN(C7=NC(N)=C(F)C=C7F)C6=C5Cl)C(=O)O)C4)=C(F)C=C3C1=O
Tpsa: 208.89
Logp: 5.0546
H Acceptors: 12
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:
C₃₃H₁₇Cl₂F₆N₇O₇
Molecular Weight:
808.43
Synonyms:
None
SMILES:
O=C(O)C1=CN(C2=NC(N)=C(F)C=C2F)C3=C(Cl)C(OC4CN(C5=C(F)C=C6C(=O)C(=CN(C7=NC(N)=C(F)C=C7F)C6=C5Cl)C(=O)O)C4)=C(F)C=C3C1=O
Tpsa:
208.89
Logp:
5.0546
H Acceptors:
12
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: C₂₀H₂₇NO₄
Molecular Weight: 345.43
Synonyms: None
SMILES: O(C1=CC=C(C=C1OC)CCNCCC2=CC=C(OC)C(OC)=C2)C
Tpsa: 48.95
Logp: 3.0958
H Acceptors: 5
H Donors: 1
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:
C₂₀H₂₇NO₄
Molecular Weight:
345.43
Synonyms:
None
SMILES:
O(C1=CC=C(C=C1OC)CCNCCC2=CC=C(OC)C(OC)=C2)C
Tpsa:
48.95
Logp:
3.0958
H Acceptors:
5
H Donors:
1
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: C₅H₈Cl₂O₂
Molecular Weight: 171.02
Synonyms: None
SMILES: O=C(OC(C)C)C(Cl)Cl
Tpsa: 26.3
Logp: 1.7417
H Acceptors: 2
H Donors: 0
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:
C₅H₈Cl₂O₂
Molecular Weight:
171.02
Synonyms:
None
SMILES:
O=C(OC(C)C)C(Cl)Cl
Tpsa:
26.3
Logp:
1.7417
H Acceptors:
2
H Donors:
0
Rotatable Bonds:
2