CS-0531429
2-(2-(6-(tert-Butyl)-1-(4-chlorobenzoyl)-5-methoxy-2-methyl-1H-indol-3-yl)acetoxy)acetic acid Acemetacin Impurity
Manufacturer: ChemScene
CAS Number: 76812-64-1
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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
C₂₅H₂₆ClNO₆
Molecular Weight
471.93
Synonyms
Acemetacin EP Impurity D/6-t-Butyl Acemetacin/[[[1-(4-Chlorobenzoyl)-6-(1,1-dimethylethyl)-5-methoxy-2-methyl-1H-indol-3-yl]acetyl]oxy]acetic acid
SMILES
O=C(COC(CC1=C(C)N(C(C2=CC=C(C=C2)Cl)=O)C3=C1C=C(C(C(C)(C)C)=C3)OC)=O)O
Tpsa
94.83
Logp
4.76802
H Acceptors
6
H Donors
1
Rotatable Bonds
6
Other Options
| Image | Product Name | Manufacturer | Price Range | |
|---|---|---|---|---|
 | 76812-64-1 | 6-(tert-Butyl) Acemetacin | 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: C₂₅H₂₆ClNO₆
Molecular Weight: 471.93
Synonyms: Acemetacin EP Impurity D/6-t-Butyl Acemetacin/[[[1-(4-Chlorobenzoyl)-6-(1,1-dimethylethyl)-5-methoxy-2-methyl-1H-indol-3-yl]acetyl]oxy]acetic acid
SMILES: O=C(COC(CC1=C(C)N(C(C2=CC=C(C=C2)Cl)=O)C3=C1C=C(C(C(C)(C)C)=C3)OC)=O)O
Tpsa: 94.83
Logp: 4.76802
H Acceptors: 6
H Donors: 1
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:
C₂₅H₂₆ClNO₆
Molecular Weight:
471.93
Synonyms:
Acemetacin EP Impurity D/6-t-Butyl Acemetacin/[[[1-(4-Chlorobenzoyl)-6-(1,1-dimethylethyl)-5-methoxy-2-methyl-1H-indol-3-yl]acetyl]oxy]acetic acid
SMILES:
O=C(COC(CC1=C(C)N(C(C2=CC=C(C=C2)Cl)=O)C3=C1C=C(C(C(C)(C)C)=C3)OC)=O)O
Tpsa:
94.83
Logp:
4.76802
H Acceptors:
6
H Donors:
1
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: C₁₀H₁₅N₃O₅
Molecular Weight: 257.24
Synonyms: 1beta-D-Arabinofuranosyl-5-methylcytosine
SMILES: O[C@@H]1[C@@](N2C(N=C(C(C)=C2)N)=O)([H])O[C@@H]([C@H]1O)CO
Tpsa: 130.83
Logp: -2.25458
H Acceptors: 8
H Donors: 4
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:
C₁₀H₁₅N₃O₅
Molecular Weight:
257.24
Synonyms:
1beta-D-Arabinofuranosyl-5-methylcytosine
SMILES:
O[C@@H]1[C@@](N2C(N=C(C(C)=C2)N)=O)([H])O[C@@H]([C@H]1O)CO
Tpsa:
130.83
Logp:
-2.25458
H Acceptors:
8
H Donors:
4
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: C₂₀H₂₂FNO₃
Molecular Weight: 343.39
Synonyms: Citalopram carboxylic acid
SMILES: O=C(C1=CC=C2C(COC2(CCCN(C)C)C3=CC=C(C=C3)F)=C1)O
Tpsa: 49.77
Logp: 3.6395
H Acceptors: 3
H Donors: 1
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:
C₂₀H₂₂FNO₃
Molecular Weight:
343.39
Synonyms:
Citalopram carboxylic acid
SMILES:
O=C(C1=CC=C2C(COC2(CCCN(C)C)C3=CC=C(C=C3)F)=C1)O
Tpsa:
49.77
Logp:
3.6395
H Acceptors:
3
H Donors:
1
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: C₁₅H₁₉ClN₂O₂
Molecular Weight: 294.78
Synonyms: Etomidate EP impurity C (hcl)
SMILES: C[C@H](C1=CC=CC=C1)N2C(C(OC(C)C)=O)=CN=C2.Cl
Tpsa: 44.12
Logp: 3.4794
H Acceptors: 4
H Donors: 0
Rotatable Bonds: 4
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₅H₁₉ClN₂O₂
Molecular Weight:
294.78
Synonyms:
Etomidate EP impurity C (hcl)
SMILES:
C[C@H](C1=CC=CC=C1)N2C(C(OC(C)C)=O)=CN=C2.Cl
Tpsa:
44.12
Logp:
3.4794
H Acceptors:
4
H Donors:
0
Rotatable Bonds:
4