CS-1003144
Mirabegron Impurity A
Manufacturer: ChemScene
CAS Number: 2489747-26-2
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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
C₂₆H₂₈N₆O₃S₂
Molecular Weight
536.67
Synonyms
None
SMILES
N(C(CC1=CSC(N)=N1)=O)C2=NC(CC(NC3=CC=C(CCNC[C@H](O)C4=CC=CC=C4)C=C3)=O)=CS2
Tpsa
142.26
Logp
3.4099
H Acceptors
9
H Donors
5
Rotatable Bonds
12
SAFETY INFORMATION
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: C₂₆H₂₈N₆O₃S₂
Molecular Weight: 536.67
Synonyms: None
SMILES: N(C(CC1=CSC(N)=N1)=O)C2=NC(CC(NC3=CC=C(CCNC[C@H](O)C4=CC=CC=C4)C=C3)=O)=CS2
Tpsa: 142.26
Logp: 3.4099
H Acceptors: 9
H Donors: 5
Rotatable Bonds: 12
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:
N(C(CC1=CSC(N)=N1)=O)C2=NC(CC(NC3=CC=C(CCNC[C@H](O)C4=CC=CC=C4)C=C3)=O)=CS2
Tpsa:
142.26
Logp:
3.4099
H Acceptors:
9
H Donors:
5
Rotatable Bonds:
12
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₂₉H₄₃ClO₃
Molecular Weight: 475.10
Synonyms: None
SMILES: C(CCCCCCCCCl)[C@H]1[C@]2([C@]3([C@@](C)([C@@H](OC(C)=O)CC3)CC[C@@]2(C=4C(C1)=CC(O)=CC4)[H])[H])[H]
Tpsa: 46.53
Logp: 7.7657
H Acceptors: 3
H Donors: 1
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:
C₂₉H₄₃ClO₃
Molecular Weight:
475.10
Synonyms:
None
SMILES:
C(CCCCCCCCCl)[C@H]1[C@]2([C@]3([C@@](C)([C@@H](OC(C)=O)CC3)CC[C@@]2(C=4C(C1)=CC(O)=CC4)[H])[H])[H]
Tpsa:
46.53
Logp:
7.7657
H Acceptors:
3
H Donors:
1
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: C₁₇H₃₆O
Molecular Weight: 256.47
Synonyms: None
SMILES: OCC(C)CCCCCCCCCCCCCC
Tpsa: 20.23
Logp: 5.706
H Acceptors: 1
H Donors: 1
Rotatable Bonds: 14
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₇H₃₆O
Molecular Weight:
256.47
Synonyms:
None
SMILES:
OCC(C)CCCCCCCCCCCCCC
Tpsa:
20.23
Logp:
5.706
H Acceptors:
1
H Donors:
1
Rotatable Bonds:
14
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₁H₁₂O₄
Molecular Weight: 208.21
Synonyms: None
SMILES: O=C(O)C1=CC=C(C=C1)C(C(=O)O)(C)C
Tpsa: 74.6
Logp: 1.747
H Acceptors: 2
H Donors: 2
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:
C₁₁H₁₂O₄
Molecular Weight:
208.21
Synonyms:
None
SMILES:
O=C(O)C1=CC=C(C=C1)C(C(=O)O)(C)C
Tpsa:
74.6
Logp:
1.747
H Acceptors:
2
H Donors:
2
Rotatable Bonds:
3