CS-0789002
2,3-Dehydro Darifenacin Hydrobromide
Manufacturer: ChemScene
CAS Number: 943034-52-4
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Purity
≥95%
MDL No
None
Storage
Sealed in dry,2-8℃
Shipping
Room temperature in continental US; may vary elsewhere.
Molecular Formula
C₂₈H₂₉BrN₂O₂
Molecular Weight
505.45
Synonyms
None
SMILES
C1CN(C[C@@H]1C(C2=CC=CC=C2)(C3=CC=CC=C3)C(=O)N)CCC4=CC5=C(C=C4)OC=C5.Br
Tpsa
59.47
Logp
5.3467
H Acceptors
3
H Donors
1
Rotatable Bonds
7
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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: ≥95%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₂₈H₂₉BrN₂O₂
Molecular Weight: 505.45
Synonyms: None
SMILES: C1CN(C[C@@H]1C(C2=CC=CC=C2)(C3=CC=CC=C3)C(=O)N)CCC4=CC5=C(C=C4)OC=C5.Br
Tpsa: 59.47
Logp: 5.3467
H Acceptors: 3
H Donors: 1
Rotatable Bonds: 7
Purity:
≥95%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₂₈H₂₉BrN₂O₂
Molecular Weight:
505.45
Synonyms:
None
SMILES:
C1CN(C[C@@H]1C(C2=CC=CC=C2)(C3=CC=CC=C3)C(=O)N)CCC4=CC5=C(C=C4)OC=C5.Br
Tpsa:
59.47
Logp:
5.3467
H Acceptors:
3
H Donors:
1
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: C₂₂H₃₀O₂
Molecular Weight: 326.47
Synonyms: None
SMILES: CCOC1=CC2=CC[C@@H]3[C@@H]([C@H]2CC1)CC[C@]4([C@H]3CC[C@]4(C#C)O)C
Tpsa: 29.46
Logp: 4.4537
H Acceptors: 2
H Donors: 1
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:
C₂₂H₃₀O₂
Molecular Weight:
326.47
Synonyms:
None
SMILES:
CCOC1=CC2=CC[C@@H]3[C@@H]([C@H]2CC1)CC[C@]4([C@H]3CC[C@]4(C#C)O)C
Tpsa:
29.46
Logp:
4.4537
H Acceptors:
2
H Donors:
1
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: C₁₀H₁₃N₅O₅
Molecular Weight: 283.24
Synonyms: None
SMILES: C1=NC(=O)C2=C(N1)N(C(=N2)N)C3C(C(C(O3)CO)O)O
Tpsa: 159.51
Logp: -2.6867
H Acceptors: 9
H Donors: 5
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:
C₁₀H₁₃N₅O₅
Molecular Weight:
283.24
Synonyms:
None
SMILES:
C1=NC(=O)C2=C(N1)N(C(=N2)N)C3C(C(C(O3)CO)O)O
Tpsa:
159.51
Logp:
-2.6867
H Acceptors:
9
H Donors:
5
Rotatable Bonds:
2
Purity: 95%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₈H₁₆O₃
Molecular Weight: 280.32
Synonyms: None
SMILES: CC[C@@H](C1=CC=CC=C1)C2=C(C3=CC=CC=C3OC2=O)O
Tpsa: 50.44
Logp: 4.0405
H Acceptors: 3
H Donors: 1
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:
C₁₈H₁₆O₃
Molecular Weight:
280.32
Synonyms:
None
SMILES:
CC[C@@H](C1=CC=CC=C1)C2=C(C3=CC=CC=C3OC2=O)O
Tpsa:
50.44
Logp:
4.0405
H Acceptors:
3
H Donors:
1
Rotatable Bonds:
3