CS-1003739
Aprepitant Impurity B; Retigabine Dihydrochloride Impurity B
Manufacturer: ChemScene
CAS Number: 380499-06-9
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Purity
≥95%
MDL No
None
Storage
Sealed in dry,2-8℃
Shipping
Room temperature in continental US; may vary elsewhere.
Molecular Formula
C₂₀H₁₈F₇NO₂
Molecular Weight
437.35
Synonyms
None
SMILES
O([C@H](C)C1=CC(C(F)(F)F)=CC(C(F)(F)F)=C1)[C@@H]2[C@H](NCCO2)C3=CC=C(F)C=C3
Tpsa
30.49
Logp
5.6281
H Acceptors
3
H Donors
1
Rotatable Bonds
4
Other Options
| Image | Product Name | Manufacturer | Price Range | |
|---|---|---|---|---|
 | 380499-06-9 | Aprepitant M2 metabolite (1R, 2R, 3R)-isomer | 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: ≥95%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₂₀H₁₈F₇NO₂
Molecular Weight: 437.35
Synonyms: None
SMILES: O([C@H](C)C1=CC(C(F)(F)F)=CC(C(F)(F)F)=C1)[C@@H]2[C@H](NCCO2)C3=CC=C(F)C=C3
Tpsa: 30.49
Logp: 5.6281
H Acceptors: 3
H Donors: 1
Rotatable Bonds: 4
Purity:
≥95%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₂₀H₁₈F₇NO₂
Molecular Weight:
437.35
Synonyms:
None
SMILES:
O([C@H](C)C1=CC(C(F)(F)F)=CC(C(F)(F)F)=C1)[C@@H]2[C@H](NCCO2)C3=CC=C(F)C=C3
Tpsa:
30.49
Logp:
5.6281
H Acceptors:
3
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: C₁₂H₁₃NO₅
Molecular Weight: 251.24
Synonyms: None
SMILES: O=C(OC)C1=CC=C(C=C1OC(=O)C)NC(=O)C
Tpsa: 81.7
Logp: 1.3569
H Acceptors: 5
H Donors: 1
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:
C₁₂H₁₃NO₅
Molecular Weight:
251.24
Synonyms:
None
SMILES:
O=C(OC)C1=CC=C(C=C1OC(=O)C)NC(=O)C
Tpsa:
81.7
Logp:
1.3569
H Acceptors:
5
H Donors:
1
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: C₂₉H₄₈O₂
Molecular Weight: 428.69
Synonyms: None
SMILES: OC=1C(=C2C=CC(OC2=C(C1C)C)(C)CCCC(C)CCCC(C)CCCC(C)C)C
Tpsa: 29.46
Logp: 8.92086
H Acceptors: 2
H Donors: 1
Rotatable Bonds: 12
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₂₉H₄₈O₂
Molecular Weight:
428.69
Synonyms:
None
SMILES:
OC=1C(=C2C=CC(OC2=C(C1C)C)(C)CCCC(C)CCCC(C)CCCC(C)C)C
Tpsa:
29.46
Logp:
8.92086
H Acceptors:
2
H Donors:
1
Rotatable Bonds:
12
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₇H₁₁N₃O
Molecular Weight: 273.29
Synonyms: None
SMILES: N#CC=1C=CC=CC1C2=CC(=CNC2=O)C=3N=CC=CC3
Tpsa: 69.54
Logp: 2.97558
H Acceptors: 3
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:
C₁₇H₁₁N₃O
Molecular Weight:
273.29
Synonyms:
None
SMILES:
N#CC=1C=CC=CC1C2=CC(=CNC2=O)C=3N=CC=CC3
Tpsa:
69.54
Logp:
2.97558
H Acceptors:
3
H Donors:
1
Rotatable Bonds:
2