CS-0533363
(3aR,4R,5R,7S,8S,9R,9aS,12R)-8-Hydroxy-4,7,9,12-tetramethyl-3-oxo-7-vinyldecahydro-4,9a-propanocyclopenta[8]annulen-5-yl 2-((1-amino-2-methylpropan-2-yl)thio)acetate Valnemulin Impurity
Manufacturer: ChemScene
CAS Number: 133787-61-8
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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
C₂₆H₄₃NO₄S
Molecular Weight
465.69
Synonyms
14-O-[(1-AMino-2-Methylpropan-2-yl)thioacetyl]Mutilin
SMILES
C[C@@H]1[C@]23[C@](C(CC3)=O)([H])[C@]([C@@H](C[C@](C)([C@H]1O)C=C)OC(CSC(C)(C)CN)=O)([C@@H](CC2)C)C
Tpsa
89.62
Logp
4.3634
H Acceptors
6
H Donors
2
Rotatable Bonds
6
Other Options
| Image | Product Name | Manufacturer | Price Range | |
|---|---|---|---|---|
 | 133787-61-8 | 14-O-[(1-Amino-2-methylpropan-2-yl)thioacetyl]mutilin | 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: C₂₆H₄₃NO₄S
Molecular Weight: 465.69
Synonyms: 14-O-[(1-AMino-2-Methylpropan-2-yl)thioacetyl]Mutilin
SMILES: C[C@@H]1[C@]23[C@](C(CC3)=O)([H])[C@]([C@@H](C[C@](C)([C@H]1O)C=C)OC(CSC(C)(C)CN)=O)([C@@H](CC2)C)C
Tpsa: 89.62
Logp: 4.3634
H Acceptors: 6
H Donors: 2
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:
C₂₆H₄₃NO₄S
Molecular Weight:
465.69
Synonyms:
14-O-[(1-AMino-2-Methylpropan-2-yl)thioacetyl]Mutilin
SMILES:
C[C@@H]1[C@]23[C@](C(CC3)=O)([H])[C@]([C@@H](C[C@](C)([C@H]1O)C=C)OC(CSC(C)(C)CN)=O)([C@@H](CC2)C)C
Tpsa:
89.62
Logp:
4.3634
H Acceptors:
6
H Donors:
2
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: C₂₀H₂₈O₂
Molecular Weight: 300.44
Synonyms: (11-cis,13-cis)-Retinoic acid
SMILES: OC(/C=C(C)\C=C/C=C(C)/C=C/C1=C(C)CCCC1(C)C)=O
Tpsa: 37.3
Logp: 5.6026
H Acceptors: 1
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:
C₂₀H₂₈O₂
Molecular Weight:
300.44
Synonyms:
(11-cis,13-cis)-Retinoic acid
SMILES:
OC(/C=C(C)\C=C/C=C(C)/C=C/C1=C(C)CCCC1(C)C)=O
Tpsa:
37.3
Logp:
5.6026
H Acceptors:
1
H Donors:
1
Rotatable Bonds:
5
Purity: 98%
MDL No: MFCD01696098
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₆H₁₅NO₂
Molecular Weight: 253.30
Synonyms: rac Ketoprofen Amide
SMILES: O=C(C(C)C1=CC(C(C2=CC=CC=C2)=O)=CC=C1)N
Tpsa: 60.16
Logp: 2.5064
H Acceptors: 2
H Donors: 1
Rotatable Bonds: 4
Purity:
98%
MDL No:
MFCD01696098
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₆H₁₅NO₂
Molecular Weight:
253.30
Synonyms:
rac Ketoprofen Amide
SMILES:
O=C(C(C)C1=CC(C(C2=CC=CC=C2)=O)=CC=C1)N
Tpsa:
60.16
Logp:
2.5064
H Acceptors:
2
H Donors:
1
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: C₁₈H₁₈O₃
Molecular Weight: 282.33
Synonyms: rac-2’,4’-Dimethyl Ketoprofen
SMILES: O=C(C(C)C1=CC(C(C2=CC=C(C)C=C2C)=O)=CC=C1)O
Tpsa: 54.37
Logp: 3.72254
H Acceptors: 2
H Donors: 1
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:
C₁₈H₁₈O₃
Molecular Weight:
282.33
Synonyms:
rac-2’,4’-Dimethyl Ketoprofen
SMILES:
O=C(C(C)C1=CC(C(C2=CC=C(C)C=C2C)=O)=CC=C1)O
Tpsa:
54.37
Logp:
3.72254
H Acceptors:
2
H Donors:
1
Rotatable Bonds:
4