CS-0571176
1-Benzyl-4-(5,6-dimethoxy-1-oxo-2,3-dihydro-1H-indene-2-carbonyl)pyridin-1-ium chloride
Manufacturer: ChemScene
CAS Number: 923571-16-8
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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
C₂₄H₂₂ClNO₄
Molecular Weight
423.89
Synonyms
None
SMILES
[Cl-].O=C(C1=CC=[N+](C=C1)CC=2C=CC=CC2)C3C(=O)C4=CC(OC)=C(OC)C=C4C3
Tpsa
56.48
Logp
0.2815
H Acceptors
4
H Donors
0
Rotatable Bonds
6
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: C₂₄H₂₂ClNO₄
Molecular Weight: 423.89
Synonyms: None
SMILES: [Cl-].O=C(C1=CC=[N+](C=C1)CC=2C=CC=CC2)C3C(=O)C4=CC(OC)=C(OC)C=C4C3
Tpsa: 56.48
Logp: 0.2815
H Acceptors: 4
H Donors: 0
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:
C₂₄H₂₂ClNO₄
Molecular Weight:
423.89
Synonyms:
None
SMILES:
[Cl-].O=C(C1=CC=[N+](C=C1)CC=2C=CC=CC2)C3C(=O)C4=CC(OC)=C(OC)C=C4C3
Tpsa:
56.48
Logp:
0.2815
H Acceptors:
4
H Donors:
0
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: C₁₉H₁₈N₂O
Molecular Weight: 290.36
Synonyms: None
SMILES: O=C(C1=CC=CC(=C1C)C)C2=NC=CN2CC=3C=CC=CC3
Tpsa: 34.89
Logp: 3.77924
H Acceptors: 3
H Donors: 0
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:
C₁₉H₁₈N₂O
Molecular Weight:
290.36
Synonyms:
None
SMILES:
O=C(C1=CC=CC(=C1C)C)C2=NC=CN2CC=3C=CC=CC3
Tpsa:
34.89
Logp:
3.77924
H Acceptors:
3
H Donors:
0
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: C₂₀H₂₀N₂
Molecular Weight: 288.39
Synonyms: Demiditraz-003
SMILES: CC1=C(C(=CC=C1)C(=C)C2=NC=CN2CC3=CC=CC=C3)C
Tpsa: 17.82
Logp: 4.60974
H Acceptors: 2
H Donors: 0
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:
C₂₀H₂₀N₂
Molecular Weight:
288.39
Synonyms:
Demiditraz-003
SMILES:
CC1=C(C(=CC=C1)C(=C)C2=NC=CN2CC3=CC=CC=C3)C
Tpsa:
17.82
Logp:
4.60974
H Acceptors:
2
H Donors:
0
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: C₆H₁₀N₄OS
Molecular Weight: 186.23
Synonyms: Acotinamide Impurity 9
SMILES: O=C(NCCN)C=1N=C(SC1)N
Tpsa: 94.03
Logp: -0.5862
H Acceptors: 5
H Donors: 3
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:
C₆H₁₀N₄OS
Molecular Weight:
186.23
Synonyms:
Acotinamide Impurity 9
SMILES:
O=C(NCCN)C=1N=C(SC1)N
Tpsa:
94.03
Logp:
-0.5862
H Acceptors:
5
H Donors:
3
Rotatable Bonds:
3