CS-0532778
(3R,4S,5S,6R,7R,9R,11S,12R,13S,14R,E)-10-(((2-Chloroethoxy)methoxy)imino)-6-(((2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)-14-ethyl-7,12,13-trihydroxy-4-(((2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyltetrahydro-2H-pyran-2-yl)oxy)-3,5,7,9,11,13-hexamethyloxacyclotetradecan-2-one RoxithromycinImpurity
Manufacturer: ChemScene
CAS Number: 134834-12-1
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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
C₄₀H₇₃ClN₂O₁₄
Molecular Weight
841.47
Synonyms
Roxithromycin Impurity J HCl
SMILES
C[C@@H]([C@@H]([C@H](C(O[C@@H]([C@@](O)([C@@H]([C@H](/C([C@@H](C[C@]1(O)C)C)=N/OCOCCCl)C)O)C)CC)=O)C)O[C@H]2C[C@](C)([C@H]([C@@H](O2)C)O)OC)[C@H]1O[C@H]3[C@@H]([C@H](C[C@H](O3)C)N(C)C)O
Tpsa
207.66
Logp
2.802
H Acceptors
16
H Donors
5
Rotatable Bonds
12
Other Options
| Image | Product Name | Manufacturer | Price Range | |
|---|---|---|---|---|
 | 134834-12-1 | Erythromycin, 9-[O-[(2-chloroethoxy)methyl]oxime], (9E)- | A2B Chem | -- |
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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: C₄₀H₇₃ClN₂O₁₄
Molecular Weight: 841.47
Synonyms: Roxithromycin Impurity J HCl
SMILES: C[C@@H]([C@@H]([C@H](C(O[C@@H]([C@@](O)([C@@H]([C@H](/C([C@@H](C[C@]1(O)C)C)=N/OCOCCCl)C)O)C)CC)=O)C)O[C@H]2C[C@](C)([C@H]([C@@H](O2)C)O)OC)[C@H]1O[C@H]3[C@@H]([C@H](C[C@H](O3)C)N(C)C)O
Tpsa: 207.66
Logp: 2.802
H Acceptors: 16
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:
C₄₀H₇₃ClN₂O₁₄
Molecular Weight:
841.47
Synonyms:
Roxithromycin Impurity J HCl
SMILES:
C[C@@H]([C@@H]([C@H](C(O[C@@H]([C@@](O)([C@@H]([C@H](/C([C@@H](C[C@]1(O)C)C)=N/OCOCCCl)C)O)C)CC)=O)C)O[C@H]2C[C@](C)([C@H]([C@@H](O2)C)O)OC)[C@H]1O[C@H]3[C@@H]([C@H](C[C@H](O3)C)N(C)C)O
Tpsa:
207.66
Logp:
2.802
H Acceptors:
16
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: C₁₈H₃₄ClN₂O₈PS
Molecular Weight: 504.96
Synonyms: 7-Epiclindamycin 2-Phosphate
SMILES: O=C([C@@H]1C[C@H](CN1C)CCC)N[C@@H]([C@@]2([H])O[C@@H]([C@@H]([C@H]([C@H]2O)O)OP(O)(O)=O)SC)[C@H](Cl)C
Tpsa: 148.79
Logp: 0.5065
H Acceptors: 8
H Donors: 5
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:
C₁₈H₃₄ClN₂O₈PS
Molecular Weight:
504.96
Synonyms:
7-Epiclindamycin 2-Phosphate
SMILES:
O=C([C@@H]1C[C@H](CN1C)CCC)N[C@@H]([C@@]2([H])O[C@@H]([C@@H]([C@H]([C@H]2O)O)OP(O)(O)=O)SC)[C@H](Cl)C
Tpsa:
148.79
Logp:
0.5065
H Acceptors:
8
H Donors:
5
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: C₃₈H₄₀Cl₂N₂O₃
Molecular Weight: 643.64
Synonyms: 4-(4-Chlorophenyl)-1-(4-(4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl)-2,2-diphenylbutanoyl)piperidin-4-ol
SMILES: O=C(C(C1=CC=CC=C1)(CCN2CCC(C3=CC=C(C=C3)Cl)(CC2)O)C4=CC=CC=C4)N5CCC(C6=CC=C(C=C6)Cl)(CC5)O
Tpsa: 64.01
Logp: 7.1634
H Acceptors: 4
H Donors: 2
Rotatable Bonds: 8
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₃₈H₄₀Cl₂N₂O₃
Molecular Weight:
643.64
Synonyms:
4-(4-Chlorophenyl)-1-(4-(4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl)-2,2-diphenylbutanoyl)piperidin-4-ol
SMILES:
O=C(C(C1=CC=CC=C1)(CCN2CCC(C3=CC=C(C=C3)Cl)(CC2)O)C4=CC=CC=C4)N5CCC(C6=CC=C(C=C6)Cl)(CC5)O
Tpsa:
64.01
Logp:
7.1634
H Acceptors:
4
H Donors:
2
Rotatable Bonds:
8
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₃₂H₅₃BrN₂O₄
Molecular Weight: 609.68
Synonyms: 3-Acetyl-17-deacetyl Rocuronium Bromide
SMILES: C[C@@]12[C@](C[C@@]([N+]3(CCCC3)CC=C)([H])[C@@H]2O)([H])[C@@]4([H])[C@@](CC1)([H])[C@@]5([C@@](C[C@@H]([C@](N6CCOCC6)([H])C5)OC(C)=O)([H])CC4)C.[Br-]
Tpsa: 59
Logp: 1.4115
H Acceptors: 5
H Donors: 1
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:
C₃₂H₅₃BrN₂O₄
Molecular Weight:
609.68
Synonyms:
3-Acetyl-17-deacetyl Rocuronium Bromide
SMILES:
C[C@@]12[C@](C[C@@]([N+]3(CCCC3)CC=C)([H])[C@@H]2O)([H])[C@@]4([H])[C@@](CC1)([H])[C@@]5([C@@](C[C@@H]([C@](N6CCOCC6)([H])C5)OC(C)=O)([H])CC4)C.[Br-]
Tpsa:
59
Logp:
1.4115
H Acceptors:
5
H Donors:
1
Rotatable Bonds:
5