CS-0914270
1-cyclopropyl-7-((4aS,7aS)-hexahydro-1l2-pyrrolo[3,4-b]pyridin-6 (2H)-yl)-8-methoxy-4-oxo-1,4-dihydroquinoline-3-carboxylic acid hydrochloride
Manufacturer: ChemScene
CAS Number: 959347-97-8
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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
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
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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: 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
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₆H₁₁NO₄
Molecular Weight: 281.26
Synonyms: None
SMILES: C(\O)(=C\1/C=2C(NC1=O)=CC(C(O)=O)=CC2)/C3=CC=CC=C3
Tpsa: 86.63
Logp: 2.7632
H Acceptors: 3
H Donors: 3
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:
C₁₆H₁₁NO₄
Molecular Weight:
281.26
Synonyms:
None
SMILES:
C(\O)(=C\1/C=2C(NC1=O)=CC(C(O)=O)=CC2)/C3=CC=CC=C3
Tpsa:
86.63
Logp:
2.7632
H Acceptors:
3
H Donors:
3
Rotatable Bonds:
2
Purity: 97%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₃H₁₂O₂
Molecular Weight: 200.23
Synonyms: None
SMILES: O=C(C=1C=CC=2C(OC)=CC=CC2C1)C
Tpsa: N/A
Logp: N/A
H Acceptors: N/A
H Donors: N/A
Rotatable Bonds: N/A
Purity:
97%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₃H₁₂O₂
Molecular Weight:
200.23
Synonyms:
None
SMILES:
O=C(C=1C=CC=2C(OC)=CC=CC2C1)C
Tpsa:
N/A
Logp:
N/A
H Acceptors:
N/A
H Donors:
N/A
Rotatable Bonds:
N/A
Purity: 95%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₅H₁₄O₃
Molecular Weight: 242.27
Synonyms: None
SMILES: O=C(C1=CC=C2C(C=CC(OC)=C2C(=O)C)=C1)C
Tpsa: 43.37
Logp: 3.2536
H Acceptors: 3
H Donors: 0
Rotatable Bonds: 3
Purity:
95%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₅H₁₄O₃
Molecular Weight:
242.27
Synonyms:
None
SMILES:
O=C(C1=CC=C2C(C=CC(OC)=C2C(=O)C)=C1)C
Tpsa:
43.37
Logp:
3.2536
H Acceptors:
3
H Donors:
0
Rotatable Bonds:
3