CS-1001942
Mirabegron Impurity 58
Manufacturer: ChemScene
CAS Number: 1684452-86-5
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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
C₂₁H₂₃ClN₄OS
Molecular Weight
414.95
Synonyms
None
SMILES
O=C(NC1=CC=C(C=C1)CCNCC(Cl)C=2C=CC=CC2)CC=3N=C(SC3)N
Tpsa
80.04
Logp
4.0187
H Acceptors
5
H Donors
3
Rotatable Bonds
9
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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: C₂₁H₂₃ClN₄OS
Molecular Weight: 414.95
Synonyms: None
SMILES: O=C(NC1=CC=C(C=C1)CCNCC(Cl)C=2C=CC=CC2)CC=3N=C(SC3)N
Tpsa: 80.04
Logp: 4.0187
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:
C₂₁H₂₃ClN₄OS
Molecular Weight:
414.95
Synonyms:
None
SMILES:
O=C(NC1=CC=C(C=C1)CCNCC(Cl)C=2C=CC=CC2)CC=3N=C(SC3)N
Tpsa:
80.04
Logp:
4.0187
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: C₁₆H₁₆N₂O₄
Molecular Weight: 300.31
Synonyms: None
SMILES: C(CNC([C@H](O)C1=CC=CC=C1)=O)C2=C(N(=O)=O)C=CC=C2
Tpsa: 92.47
Logp: 1.9871
H Acceptors: 4
H Donors: 2
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:
C₁₆H₁₆N₂O₄
Molecular Weight:
300.31
Synonyms:
None
SMILES:
C(CNC([C@H](O)C1=CC=CC=C1)=O)C2=C(N(=O)=O)C=CC=C2
Tpsa:
92.47
Logp:
1.9871
H Acceptors:
4
H Donors:
2
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: C₂₆H₂₈N₆O₃S₂
Molecular Weight: 536.67
Synonyms: None
SMILES: [C@@H](CN(C(CC1=CSC(N)=N1)=O)CCC2=CC=C(N)C=C2)(OC(CC3=CSC(N)=N3)=O)C4=CC=CC=C4
Tpsa: 150.45
Logp: 3.4872
H Acceptors: 10
H Donors: 3
Rotatable Bonds: 11
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₂₆H₂₈N₆O₃S₂
Molecular Weight:
536.67
Synonyms:
None
SMILES:
[C@@H](CN(C(CC1=CSC(N)=N1)=O)CCC2=CC=C(N)C=C2)(OC(CC3=CSC(N)=N3)=O)C4=CC=CC=C4
Tpsa:
150.45
Logp:
3.4872
H Acceptors:
10
H Donors:
3
Rotatable Bonds:
11
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₉H₁₅NO₂
Molecular Weight: 169.22
Synonyms: None
SMILES: C(OC)(=O)C1[C@@]2([C@@](C2(C)C)(CN1)[H])[H]
Tpsa: 38.33
Logp: 0.4034
H Acceptors: 3
H Donors: 1
Rotatable Bonds: 1
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₉H₁₅NO₂
Molecular Weight:
169.22
Synonyms:
None
SMILES:
C(OC)(=O)C1[C@@]2([C@@](C2(C)C)(CN1)[H])[H]
Tpsa:
38.33
Logp:
0.4034
H Acceptors:
3
H Donors:
1
Rotatable Bonds:
1