CS-0531518
1-(4-(2-Butoxyethyl)phenoxy)-3-(isopropylamino)propan-2-ol Betaxolol Impurity
Manufacturer: ChemScene
CAS Number: 1329613-85-5
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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
C₁₈H₃₁NO₃
Molecular Weight
309.44
Synonyms
O-Des(cyclopropylmethyl)-O-butyl Betaxolol Hydrochloride
SMILES
OC(CNC(C)C)COC1=CC=C(CCOCCCC)C=C1
Tpsa
50.72
Logp
2.7835
H Acceptors
4
H Donors
2
Rotatable Bonds
12
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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: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₈H₃₁NO₃
Molecular Weight: 309.44
Synonyms: O-Des(cyclopropylmethyl)-O-butyl Betaxolol Hydrochloride
SMILES: OC(CNC(C)C)COC1=CC=C(CCOCCCC)C=C1
Tpsa: 50.72
Logp: 2.7835
H Acceptors: 4
H Donors: 2
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:
C₁₈H₃₁NO₃
Molecular Weight:
309.44
Synonyms:
O-Des(cyclopropylmethyl)-O-butyl Betaxolol Hydrochloride
SMILES:
OC(CNC(C)C)COC1=CC=C(CCOCCCC)C=C1
Tpsa:
50.72
Logp:
2.7835
H Acceptors:
4
H Donors:
2
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: C₂₂H₂₉FO₅
Molecular Weight: 392.46
Synonyms: 14-Fluoro-11beta,17,21-trihydroxy-16beta-methyl-8alpha,9beta,14beta-pregna-1,4-diene-3,20-dione
SMILES: F[C@@]12[C@@]([C@](O)([C@H](C1)C)C(CO)=O)(C[C@@H]([C@]3([H])[C@]2([H])CCC([C@@]3(C=C4)C)=CC4=O)O)C
Tpsa: 94.83
Logp: 1.8957
H Acceptors: 5
H Donors: 3
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:
C₂₂H₂₉FO₅
Molecular Weight:
392.46
Synonyms:
14-Fluoro-11beta,17,21-trihydroxy-16beta-methyl-8alpha,9beta,14beta-pregna-1,4-diene-3,20-dione
SMILES:
F[C@@]12[C@@]([C@](O)([C@H](C1)C)C(CO)=O)(C[C@@H]([C@]3([H])[C@]2([H])CCC([C@@]3(C=C4)C)=CC4=O)O)C
Tpsa:
94.83
Logp:
1.8957
H Acceptors:
5
H Donors:
3
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: C₂₂H₂₈O₄
Molecular Weight: 356.46
Synonyms: 17,21-Dihydroxy-16beta-methylpregna-1,4,9(11)-triene-3,20-dione
SMILES: C[C@@]12[C@](C[C@@H]([C@]2(O)C(CO)=O)C)([H])[C@@]3([H])C([C@@]4(C(CC3)=CC(C=C4)=O)C)=CC1
Tpsa: 74.6
Logp: 2.7529
H Acceptors: 4
H Donors: 2
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:
C₂₂H₂₈O₄
Molecular Weight:
356.46
Synonyms:
17,21-Dihydroxy-16beta-methylpregna-1,4,9(11)-triene-3,20-dione
SMILES:
C[C@@]12[C@](C[C@@H]([C@]2(O)C(CO)=O)C)([H])[C@@]3([H])C([C@@]4(C(CC3)=CC(C=C4)=O)C)=CC1
Tpsa:
74.6
Logp:
2.7529
H Acceptors:
4
H Donors:
2
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: C₁₆H₂₂Cl₃NO₂
Molecular Weight: 366.71
Synonyms: Chlorambucil chloroethyl ester
SMILES: O=C(CCCC1=CC=C(N(CCCl)CCCl)C=C1)OCCCl
Tpsa: 29.54
Logp: 4.0753
H Acceptors: 3
H Donors: 0
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:
C₁₆H₂₂Cl₃NO₂
Molecular Weight:
366.71
Synonyms:
Chlorambucil chloroethyl ester
SMILES:
O=C(CCCC1=CC=C(N(CCCl)CCCl)C=C1)OCCCl
Tpsa:
29.54
Logp:
4.0753
H Acceptors:
3
H Donors:
0
Rotatable Bonds:
11