CS-0531446
2-(2-(2-(1-(4-Chlorobenzoyl)-5-methoxy-2-methyl-1H-indol-3-yl)acetoxy)acetoxy)acetic acid Acemetacin Impurity
Manufacturer: ChemScene
CAS Number: 76812-49-2
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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
C₂₃H₂₀ClNO₈
Molecular Weight
473.86
Synonyms
Acemetacin EP Impurity F/Carboxymethyl Acemetacin/[[[[[1-(4-Chlorobenzoyl)-5-methoxy-2-methyl-1H-indol-3-yl]acetyl]oxy]acetyl]oxy]acetic acid
SMILES
O=C(COC(COC(CC1=C(C)N(C(C2=CC=C(C=C2)Cl)=O)C3=C1C=C(C=C3)OC)=O)=O)O
Tpsa
121.13
Logp
3.01372
H Acceptors
8
H Donors
1
Rotatable Bonds
8
Other Options
| Image | Product Name | Manufacturer | Price Range | |
|---|---|---|---|---|
 | 76812-49-2 | 1H-INDOLE-3-ACETIC ACID, 1-(4-CHLOROBENZOYL)-5-METHOXY-2-METHYL-, 2-(CARBOXYMETHOXY)-2-OXOETHYL ESTER | 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: C₂₃H₂₀ClNO₈
Molecular Weight: 473.86
Synonyms: Acemetacin EP Impurity F/Carboxymethyl Acemetacin/[[[[[1-(4-Chlorobenzoyl)-5-methoxy-2-methyl-1H-indol-3-yl]acetyl]oxy]acetyl]oxy]acetic acid
SMILES: O=C(COC(COC(CC1=C(C)N(C(C2=CC=C(C=C2)Cl)=O)C3=C1C=C(C=C3)OC)=O)=O)O
Tpsa: 121.13
Logp: 3.01372
H Acceptors: 8
H Donors: 1
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:
C₂₃H₂₀ClNO₈
Molecular Weight:
473.86
Synonyms:
Acemetacin EP Impurity F/Carboxymethyl Acemetacin/[[[[[1-(4-Chlorobenzoyl)-5-methoxy-2-methyl-1H-indol-3-yl]acetyl]oxy]acetyl]oxy]acetic acid
SMILES:
O=C(COC(COC(CC1=C(C)N(C(C2=CC=C(C=C2)Cl)=O)C3=C1C=C(C=C3)OC)=O)=O)O
Tpsa:
121.13
Logp:
3.01372
H Acceptors:
8
H Donors:
1
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: C₁₆H₁₉N₃O₄S
Molecular Weight: 349.40
Synonyms: 2-(3,6-Dioxo-5-phenylpiperazin-2-yl)-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid
SMILES: O=C(C1NC(C2NC(C(C3=CC=CC=C3)NC2=O)=O)SC1(C)C)O
Tpsa: 107.53
Logp: 0.2366
H Acceptors: 5
H Donors: 4
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:
C₁₆H₁₉N₃O₄S
Molecular Weight:
349.40
Synonyms:
2-(3,6-Dioxo-5-phenylpiperazin-2-yl)-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid
SMILES:
O=C(C1NC(C2NC(C(C3=CC=CC=C3)NC2=O)=O)SC1(C)C)O
Tpsa:
107.53
Logp:
0.2366
H Acceptors:
5
H Donors:
4
Rotatable Bonds:
3
Purity: 97%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₇H₉N₅O₂
Molecular Weight: 195.18
Synonyms: 9-(2'-Hydroxyethyl)guanine
SMILES: O=C1N=C(NC2=C1N=CN2CCO)N
Tpsa: N/A
Logp: N/A
H Acceptors: N/A
H Donors: N/A
Rotatable Bonds: N/A
Purity:
97%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₇H₉N₅O₂
Molecular Weight:
195.18
Synonyms:
9-(2'-Hydroxyethyl)guanine
SMILES:
O=C1N=C(NC2=C1N=CN2CCO)N
Tpsa:
N/A
Logp:
N/A
H Acceptors:
N/A
H Donors:
N/A
Rotatable Bonds:
N/A
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₅H₂₁N₃O₃S
Molecular Weight: 323.41
Synonyms: (4S)-2-({[(2R)-2-Amino-2-phenylacetyl]amino}methyl)-5,5-dimethyl- 1,3-thiazolidine-4-carboxylic acid
SMILES: OC([C@@H]1N[C@H](SC1(C)C)CNC([C@@H](C2=CC=CC=C2)N)=O)=O
Tpsa: 104.45
Logp: 0.6969
H Acceptors: 5
H Donors: 4
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:
C₁₅H₂₁N₃O₃S
Molecular Weight:
323.41
Synonyms:
(4S)-2-({[(2R)-2-Amino-2-phenylacetyl]amino}methyl)-5,5-dimethyl- 1,3-thiazolidine-4-carboxylic acid
SMILES:
OC([C@@H]1N[C@H](SC1(C)C)CNC([C@@H](C2=CC=CC=C2)N)=O)=O
Tpsa:
104.45
Logp:
0.6969
H Acceptors:
5
H Donors:
4
Rotatable Bonds:
5