CS-1004785
Mirabegron Impurity 39
Manufacturer: ChemScene
CAS Number: 765885-03-8
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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
C₂₃H₂₆N₄O₃S
Molecular Weight
438.54
Synonyms
None
SMILES
C(C(NC1=CC=C(CCNC[C@H](O)C2=CC=CC=C2)C=C1)=O)C=3N=C(NC(C)=O)SC3
Tpsa
103.35
Logp
3.1484
H Acceptors
6
H Donors
4
Rotatable Bonds
10
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: C₂₃H₂₆N₄O₃S
Molecular Weight: 438.54
Synonyms: None
SMILES: C(C(NC1=CC=C(CCNC[C@H](O)C2=CC=CC=C2)C=C1)=O)C=3N=C(NC(C)=O)SC3
Tpsa: 103.35
Logp: 3.1484
H Acceptors: 6
H Donors: 4
Rotatable Bonds: 10
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₂₃H₂₆N₄O₃S
Molecular Weight:
438.54
Synonyms:
None
SMILES:
C(C(NC1=CC=C(CCNC[C@H](O)C2=CC=CC=C2)C=C1)=O)C=3N=C(NC(C)=O)SC3
Tpsa:
103.35
Logp:
3.1484
H Acceptors:
6
H Donors:
4
Rotatable Bonds:
10
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₉H₁₂BrN
Molecular Weight: 214.10
Synonyms: None
SMILES: C([C@@H](CBr)N)C1=CC=CC=C1
Tpsa: 26.02
Logp: 1.9513
H Acceptors: 1
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:
C₉H₁₂BrN
Molecular Weight:
214.10
Synonyms:
None
SMILES:
C([C@@H](CBr)N)C1=CC=CC=C1
Tpsa:
26.02
Logp:
1.9513
H Acceptors:
1
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: C₂₀H₁₈ClNO₅
Molecular Weight: 387.81
Synonyms: None
SMILES: [Cl-].OC1=C2C=CC(OC)=C(OC)C2=C[N+]3=C1C4=CC=5OCOC5C=C4CC3
Tpsa: 61.03
Logp: -0.1941
H Acceptors: 5
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:
C₂₀H₁₈ClNO₅
Molecular Weight:
387.81
Synonyms:
None
SMILES:
[Cl-].OC1=C2C=CC(OC)=C(OC)C2=C[N+]3=C1C4=CC=5OCOC5C=C4CC3
Tpsa:
61.03
Logp:
-0.1941
H Acceptors:
5
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: C₁₆H₁₇N₃O₃
Molecular Weight: 299.32
Synonyms: None
SMILES: O=N(=O)C=1C=CC=CC1N2CCN(C3=CC=C(O)C=C3)CC2
Tpsa: 69.85
Logp: 2.627
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:
C₁₆H₁₇N₃O₃
Molecular Weight:
299.32
Synonyms:
None
SMILES:
O=N(=O)C=1C=CC=CC1N2CCN(C3=CC=C(O)C=C3)CC2
Tpsa:
69.85
Logp:
2.627
H Acceptors:
5
H Donors:
1
Rotatable Bonds:
3