CS-0531762
(8S,9R,10S,11S,13S,14S,16S,17R)-9,11-Dichloro-10,13,16-trimethyl-3-oxo-17-(2-(propionyloxy)acetyl)-6,7,8,9,10,11,12,13,14,15,16,17-dodecahydro-3H-cyclopenta[a]phenanthren-17-yl propionate Beclometasone Dipropionate Impurity
Manufacturer: ChemScene
CAS Number: 14527-61-8
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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
C₂₈H₃₆Cl₂O₆
Molecular Weight
539.49
Synonyms
9,11beta-Dichloro-16beta-methyl-3,20-dioxopregna-1,4-diene-17,21-diyl dipropanoate
SMILES
CCC(OCC([C@@]1([C@@]2([C@@]([C@@]3([H])[C@]([C@H](C2)Cl)([C@@]4(C(CC3)=CC(C=C4)=O)C)Cl)([H])C[C@@H]1C)C)OC(CC)=O)=O)=O
Tpsa
86.74
Logp
5.3333
H Acceptors
6
H Donors
0
Rotatable Bonds
6
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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: C₂₈H₃₆Cl₂O₆
Molecular Weight: 539.49
Synonyms: 9,11beta-Dichloro-16beta-methyl-3,20-dioxopregna-1,4-diene-17,21-diyl dipropanoate
SMILES: CCC(OCC([C@@]1([C@@]2([C@@]([C@@]3([H])[C@]([C@H](C2)Cl)([C@@]4(C(CC3)=CC(C=C4)=O)C)Cl)([H])C[C@@H]1C)C)OC(CC)=O)=O)=O
Tpsa: 86.74
Logp: 5.3333
H Acceptors: 6
H Donors: 0
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:
C₂₈H₃₆Cl₂O₆
Molecular Weight:
539.49
Synonyms:
9,11beta-Dichloro-16beta-methyl-3,20-dioxopregna-1,4-diene-17,21-diyl dipropanoate
SMILES:
CCC(OCC([C@@]1([C@@]2([C@@]([C@@]3([H])[C@]([C@H](C2)Cl)([C@@]4(C(CC3)=CC(C=C4)=O)C)Cl)([H])C[C@@H]1C)C)OC(CC)=O)=O)=O
Tpsa:
86.74
Logp:
5.3333
H Acceptors:
6
H Donors:
0
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: C₂₂H₃₂N₂O₄
Molecular Weight: 388.50
Synonyms: 8,8'-(Butane-1,4-diyl)bis(8-azaspiro[4.5]decane-7,9-dione)
SMILES: O=C1N(CCCCN2C(CC3(CCCC3)CC2=O)=O)C(CC4(CCCC4)C1)=O
Tpsa: 74.76
Logp: 3.1854
H Acceptors: 4
H Donors: 0
Rotatable Bonds: 5
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₂₂H₃₂N₂O₄
Molecular Weight:
388.50
Synonyms:
8,8'-(Butane-1,4-diyl)bis(8-azaspiro[4.5]decane-7,9-dione)
SMILES:
O=C1N(CCCCN2C(CC3(CCCC3)CC2=O)=O)C(CC4(CCCC4)C1)=O
Tpsa:
74.76
Logp:
3.1854
H Acceptors:
4
H Donors:
0
Rotatable Bonds:
5
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₅H₂₄O
Molecular Weight: 220.35
Synonyms: Eugenol Impurity 3（Eugenol EP Impurity C）
SMILES: C[C@]12[C@@](CCC([C@]3([H])[C@@](C(C)(C3)C)([H])CC2)=C)([H])O1
Tpsa: 12.53
Logp: 3.9364
H Acceptors: 1
H Donors: 0
Rotatable Bonds: 0
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₅H₂₄O
Molecular Weight:
220.35
Synonyms:
Eugenol Impurity 3（Eugenol EP Impurity C）
SMILES:
C[C@]12[C@@](CCC([C@]3([H])[C@@](C(C)(C3)C)([H])CC2)=C)([H])O1
Tpsa:
12.53
Logp:
3.9364
H Acceptors:
1
H Donors:
0
Rotatable Bonds:
0
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₉H₂₂ClNO
Molecular Weight: 315.84
Synonyms: Cidoxepin hydrochloride
SMILES: CN(C)CC/C=C1C2=CC=CC=C2COC3=CC=CC=C3/1.Cl
Tpsa: 12.47
Logp: 4.3842
H Acceptors: 2
H Donors: 0
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:
C₁₉H₂₂ClNO
Molecular Weight:
315.84
Synonyms:
Cidoxepin hydrochloride
SMILES:
CN(C)CC/C=C1C2=CC=CC=C2COC3=CC=CC=C3/1.Cl
Tpsa:
12.47
Logp:
4.3842
H Acceptors:
2
H Donors:
0
Rotatable Bonds:
3