CS-0536277
1-Cyclopropyl-6,8-difluoro-7-((4aS,7aS)-octahydro-6H-pyrrolo[3,4-b]pyridin-6-yl)-4-oxo-1,4-dihydroquinoline-3-carboxylic acid hydrochloride
Manufacturer: ChemScene
CAS Number: 151282-23-4
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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
C₂₀H₂₂ClF₂N₃O₃
Molecular Weight
425.86
Synonyms
Moxifloxacin-1
SMILES
FC1=C2N(C=C(C(O)=O)C(=O)C2=CC(F)=C1N3C[C@]4([C@@](C3)(NCCC4)[H])[H])C5CC5.Cl
Tpsa
74.57
Logp
2.9228
H Acceptors
5
H Donors
2
Rotatable Bonds
3
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: C₂₀H₂₂ClF₂N₃O₃
Molecular Weight: 425.86
Synonyms: Moxifloxacin-1
SMILES: FC1=C2N(C=C(C(O)=O)C(=O)C2=CC(F)=C1N3C[C@]4([C@@](C3)(NCCC4)[H])[H])C5CC5.Cl
Tpsa: 74.57
Logp: 2.9228
H Acceptors: 5
H Donors: 2
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:
C₂₀H₂₂ClF₂N₃O₃
Molecular Weight:
425.86
Synonyms:
Moxifloxacin-1
SMILES:
FC1=C2N(C=C(C(O)=O)C(=O)C2=CC(F)=C1N3C[C@]4([C@@](C3)(NCCC4)[H])[H])C5CC5.Cl
Tpsa:
74.57
Logp:
2.9228
H Acceptors:
5
H Donors:
2
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: C₂₁H₂₄N₄OS
Molecular Weight: 380.51
Synonyms: None
SMILES: C1=CC=C(C=C1)CCNCCC2=CC=C(C=C2)NC(=O)CC3=CSC(=N3)N
Tpsa: 80.04
Logp: 3.2813
H Acceptors: 5
H Donors: 3
Rotatable Bonds: 9
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₂₁H₂₄N₄OS
Molecular Weight:
380.51
Synonyms:
None
SMILES:
C1=CC=C(C=C1)CCNCCC2=CC=C(C=C2)NC(=O)CC3=CSC(=N3)N
Tpsa:
80.04
Logp:
3.2813
H Acceptors:
5
H Donors:
3
Rotatable Bonds:
9
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₂₅H₂₅N₅O₃
Molecular Weight: 443.50
Synonyms: alogliptina impurity 4
SMILES: C(N1C(=CC(=O)N(C)C1=O)N2C[C@@H](NC(=O)C3=CC=CC=C3)CCC2)C4=C(C#N)C=CC=C4
Tpsa: 100.13
Logp: 1.86578
H Acceptors: 7
H Donors: 1
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:
C₂₅H₂₅N₅O₃
Molecular Weight:
443.50
Synonyms:
alogliptina impurity 4
SMILES:
C(N1C(=CC(=O)N(C)C1=O)N2C[C@@H](NC(=O)C3=CC=CC=C3)CCC2)C4=C(C#N)C=CC=C4
Tpsa:
100.13
Logp:
1.86578
H Acceptors:
7
H Donors:
1
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: C₁₈H₁₇FN₈
Molecular Weight: 364.38
Synonyms: 2-[1-(2-Fluorobenzyl)-1H-pyrazolo[3,4-b]pyridin-3-yl]-N5-methyl-4,5,6-pyrimidinetriamine
SMILES: FC=1C=CC=CC1CN2N=C(C=3N=C(N)C(NC)=C(N3)N)C=4C=CC=NC42
Tpsa: 120.56
Logp: 2.2818
H Acceptors: 8
H Donors: 3
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:
C₁₈H₁₇FN₈
Molecular Weight:
364.38
Synonyms:
2-[1-(2-Fluorobenzyl)-1H-pyrazolo[3,4-b]pyridin-3-yl]-N5-methyl-4,5,6-pyrimidinetriamine
SMILES:
FC=1C=CC=CC1CN2N=C(C=3N=C(N)C(NC)=C(N3)N)C=4C=CC=NC42
Tpsa:
120.56
Logp:
2.2818
H Acceptors:
8
H Donors:
3
Rotatable Bonds:
4