CS-0533515
Ethyl 2-(1-(4-chlorobenzoyl)-5-methoxy-2-methyl-1H-indol-3-yl)acetate Indomethacin Impurity
Manufacturer: ChemScene
CAS Number: 16401-99-3
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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
C₂₁H₂₀ClNO₄
Molecular Weight
385.84
Synonyms
Indomethacin ethyl ester
SMILES
O=C(CC1=C(C)N(C(C2=CC=C(C=C2)Cl)=O)C3=C1C=C(C=C3)OC)OCC
Tpsa
57.53
Logp
4.40582
H Acceptors
5
H Donors
0
Rotatable Bonds
5
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: C₂₁H₂₀ClNO₄
Molecular Weight: 385.84
Synonyms: Indomethacin ethyl ester
SMILES: O=C(CC1=C(C)N(C(C2=CC=C(C=C2)Cl)=O)C3=C1C=C(C=C3)OC)OCC
Tpsa: 57.53
Logp: 4.40582
H Acceptors: 5
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:
C₂₁H₂₀ClNO₄
Molecular Weight:
385.84
Synonyms:
Indomethacin ethyl ester
SMILES:
O=C(CC1=C(C)N(C(C2=CC=C(C=C2)Cl)=O)C3=C1C=C(C=C3)OC)OCC
Tpsa:
57.53
Logp:
4.40582
H Acceptors:
5
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: C₃₃H₂₇Cl₂N₃O₅
Molecular Weight: 616.49
Synonyms: Indomethacin Diamide
SMILES: O=C(N(C1=CC=C(C=C1)OC)NC(CC2=C(C)N(C(C3=CC=C(C=C3)Cl)=O)C4=C2C=C(C=C4)OC)=O)C5=CC=C(C=C5)Cl
Tpsa: 89.87
Logp: 6.88292
H Acceptors: 6
H Donors: 1
Rotatable Bonds: 7
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₃₃H₂₇Cl₂N₃O₅
Molecular Weight:
616.49
Synonyms:
Indomethacin Diamide
SMILES:
O=C(N(C1=CC=C(C=C1)OC)NC(CC2=C(C)N(C(C3=CC=C(C=C3)Cl)=O)C4=C2C=C(C=C4)OC)=O)C5=CC=C(C=C5)Cl
Tpsa:
89.87
Logp:
6.88292
H Acceptors:
6
H Donors:
1
Rotatable Bonds:
7
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₂₂H₃₀O₂
Molecular Weight: 326.47
Synonyms: (8R,9S,13S,14S,17R)-13-ethyl-17-ethynyl-3-methoxy-4,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-ol
SMILES: CC[C@@]12[C@](CC[C@@]2(O)C#C)([H])[C@@]3([H])[C@](C4=C(CC(OC)=CC4)CC3)([H])CC1
Tpsa: 29.46
Logp: 4.5978
H Acceptors: 2
H Donors: 1
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:
C₂₂H₃₀O₂
Molecular Weight:
326.47
Synonyms:
(8R,9S,13S,14S,17R)-13-ethyl-17-ethynyl-3-methoxy-4,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-ol
SMILES:
CC[C@@]12[C@](CC[C@@]2(O)C#C)([H])[C@@]3([H])[C@](C4=C(CC(OC)=CC4)CC3)([H])CC1
Tpsa:
29.46
Logp:
4.5978
H Acceptors:
2
H Donors:
1
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: C₂₂H₂₈O₂
Molecular Weight: 324.46
Synonyms: (8R,9s,13s,14s,17r)-13-ethyl-17-ethynyl-3-methoxy-7,8,9,11,12,14,15,16-octahydro-6h-cyclopenta[a]phenanthren-17-ol
SMILES: CC[C@@]12[C@](CC[C@@]2(O)C#C)([H])[C@@]3([H])[C@](C4=CC=C(OC)C=C4CC3)([H])CC1
Tpsa: 29.46
Logp: 4.3057
H Acceptors: 2
H Donors: 1
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:
C₂₂H₂₈O₂
Molecular Weight:
324.46
Synonyms:
(8R,9s,13s,14s,17r)-13-ethyl-17-ethynyl-3-methoxy-7,8,9,11,12,14,15,16-octahydro-6h-cyclopenta[a]phenanthren-17-ol
SMILES:
CC[C@@]12[C@](CC[C@@]2(O)C#C)([H])[C@@]3([H])[C@](C4=CC=C(OC)C=C4CC3)([H])CC1
Tpsa:
29.46
Logp:
4.3057
H Acceptors:
2
H Donors:
1
Rotatable Bonds:
2