CS-0534176
(3aR,4R,5R,7S,8S,9R,9aS,12R)-4,7,9,12-Tetramethyl-3-oxo-7-vinyldecahydro-4,9a-propanocyclopenta[8]annulene-5,8-diyl diacetate Tiamulin Impurity
Manufacturer: ChemScene
CAS Number: 14431-61-9
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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
C₂₄H₃₆O₅
Molecular Weight
404.54
Synonyms
(3aS,4R,5S,6S,8R,9R,9aR,10R)-6-Ethenyl-4,6,9,10-tetramethyl-1-oxodecahydro-3a,9-propano-3aH-cyclopentacycloocten-5,8-diyl Diacetate (Mutilin 11,14-Diacetate)
SMILES
C[C@@H]1[C@]23[C@](C(CC3)=O)([H])[C@]([C@@H](C[C@](C)([C@H]1OC(C)=O)C=C)OC(C)=O)([C@@H](CC2)C)C
Tpsa
69.67
Logp
4.4836
H Acceptors
5
H Donors
0
Rotatable Bonds
3
Other Options
| Image | Product Name | Manufacturer | Price Range | |
|---|---|---|---|---|
 | 14431-61-9 | Mutilin 11,14-Diacetate | A2B Chem | -- |
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: C₂₄H₃₆O₅
Molecular Weight: 404.54
Synonyms: (3aS,4R,5S,6S,8R,9R,9aR,10R)-6-Ethenyl-4,6,9,10-tetramethyl-1-oxodecahydro-3a,9-propano-3aH-cyclopentacycloocten-5,8-diyl Diacetate (Mutilin 11,14-Diacetate)
SMILES: C[C@@H]1[C@]23[C@](C(CC3)=O)([H])[C@]([C@@H](C[C@](C)([C@H]1OC(C)=O)C=C)OC(C)=O)([C@@H](CC2)C)C
Tpsa: 69.67
Logp: 4.4836
H Acceptors: 5
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:
C₂₄H₃₆O₅
Molecular Weight:
404.54
Synonyms:
(3aS,4R,5S,6S,8R,9R,9aR,10R)-6-Ethenyl-4,6,9,10-tetramethyl-1-oxodecahydro-3a,9-propano-3aH-cyclopentacycloocten-5,8-diyl Diacetate (Mutilin 11,14-Diacetate)
SMILES:
C[C@@H]1[C@]23[C@](C(CC3)=O)([H])[C@]([C@@H](C[C@](C)([C@H]1OC(C)=O)C=C)OC(C)=O)([C@@H](CC2)C)C
Tpsa:
69.67
Logp:
4.4836
H Acceptors:
5
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: C₇H₅ClFNO₂
Molecular Weight: 189.57
Synonyms: 4-Pyridinecarboxylic acid, 5-chloro-2-fluoro-, methyl ester
SMILES: O=C(C1=CC(F)=NC=C1Cl)OC
Tpsa: 39.19
Logp: 1.6607
H Acceptors: 3
H Donors: 0
Rotatable Bonds: 1
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₇H₅ClFNO₂
Molecular Weight:
189.57
Synonyms:
4-Pyridinecarboxylic acid, 5-chloro-2-fluoro-, methyl ester
SMILES:
O=C(C1=CC(F)=NC=C1Cl)OC
Tpsa:
39.19
Logp:
1.6607
H Acceptors:
3
H Donors:
0
Rotatable Bonds:
1
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₃H₂₀ClNO₂
Molecular Weight: 257.76
Synonyms: Tilidine Impurity D Hydrochloride
SMILES: O=C(C(CN(C)C)C1=CC=CC=C1)OCC.Cl
Tpsa: 29.54
Logp: 2.3167
H Acceptors: 3
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:
C₁₃H₂₀ClNO₂
Molecular Weight:
257.76
Synonyms:
Tilidine Impurity D Hydrochloride
SMILES:
O=C(C(CN(C)C)C1=CC=CC=C1)OCC.Cl
Tpsa:
29.54
Logp:
2.3167
H Acceptors:
3
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: C₁₉H₂₅NO₃
Molecular Weight: 315.41
Synonyms: None
SMILES: OC1=CC=C(C(CNCCCCC2=CC=CC=C2)O)C=C1CO
Tpsa: 72.72
Logp: 2.5304
H Acceptors: 4
H Donors: 4
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:
C₁₉H₂₅NO₃
Molecular Weight:
315.41
Synonyms:
None
SMILES:
OC1=CC=C(C(CNCCCCC2=CC=CC=C2)O)C=C1CO
Tpsa:
72.72
Logp:
2.5304
H Acceptors:
4
H Donors:
4
Rotatable Bonds:
9