CS-0914267
1-cyclopropyl-8-fluoro-6-methoxy-7-((4aR,7aR)-octahydro-6H- pyrrolo[3,4-b]pyridin-6-yl)-4-oxo-1,4-dihydroquinoline-3-carboxylic acid hydrochloride
Manufacturer: ChemScene
CAS Number: 2252446-69-6
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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
C₂₁H₂₅ClFN₃O₄
Molecular Weight
437.89
Synonyms
None
SMILES
FC1=C2N(C=C(C(O)=O)C(=O)C2=CC(OC)=C1N3C[C@]4([C@@](C3)(NCCC4)[H])[H])C5CC5.Cl
Tpsa
83.8
Logp
2.7923
H Acceptors
6
H Donors
2
Rotatable Bonds
4
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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: C₂₁H₂₅ClFN₃O₄
Molecular Weight: 437.89
Synonyms: None
SMILES: FC1=C2N(C=C(C(O)=O)C(=O)C2=CC(OC)=C1N3C[C@]4([C@@](C3)(NCCC4)[H])[H])C5CC5.Cl
Tpsa: 83.8
Logp: 2.7923
H Acceptors: 6
H Donors: 2
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:
C₂₁H₂₅ClFN₃O₄
Molecular Weight:
437.89
Synonyms:
None
SMILES:
FC1=C2N(C=C(C(O)=O)C(=O)C2=CC(OC)=C1N3C[C@]4([C@@](C3)(NCCC4)[H])[H])C5CC5.Cl
Tpsa:
83.8
Logp:
2.7923
H Acceptors:
6
H Donors:
2
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(O)C1=CN(C2=C(OC)C(=C(F)C=C2C1=O)N3C(=O)C4CCCNC4C3)C5CC5
Tpsa: 100.87
Logp: 1.8971
H Acceptors: 6
H Donors: 2
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(O)C1=CN(C2=C(OC)C(=C(F)C=C2C1=O)N3C(=O)C4CCCNC4C3)C5CC5
Tpsa:
100.87
Logp:
1.8971
H Acceptors:
6
H Donors:
2
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: C₂₀H₂₅ClFN₃O₂
Molecular Weight: 393.88
Synonyms: None
SMILES: O(C)C1=C2N(C=CC(=O)C2=CC(F)=C1N3C[C@]4([C@@](C3)(NCCC4)[H])[H])C5CC5.Cl
Tpsa: 46.5
Logp: 3.0941
H Acceptors: 5
H Donors: 1
Rotatable Bonds: 3
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₂₀H₂₅ClFN₃O₂
Molecular Weight:
393.88
Synonyms:
None
SMILES:
O(C)C1=C2N(C=CC(=O)C2=CC(F)=C1N3C[C@]4([C@@](C3)(NCCC4)[H])[H])C5CC5.Cl
Tpsa:
46.5
Logp:
3.0941
H Acceptors:
5
H Donors:
1
Rotatable Bonds:
3
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₂₁H₂₅N₃O₄
Molecular Weight: 383.44
Synonyms: None
SMILES: O(C)C1=C2N(C=C(C(O)=O)C(=O)C2=CC=C1N3C[C@]4([C@@](C3)(NCCC4)[H])[H])C5CC5
Tpsa: 83.8
Logp: 2.2314
H Acceptors: 6
H Donors: 2
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:
C₂₁H₂₅N₃O₄
Molecular Weight:
383.44
Synonyms:
None
SMILES:
O(C)C1=C2N(C=C(C(O)=O)C(=O)C2=CC=C1N3C[C@]4([C@@](C3)(NCCC4)[H])[H])C5CC5
Tpsa:
83.8
Logp:
2.2314
H Acceptors:
6
H Donors:
2
Rotatable Bonds:
4