CS-1002000
Aprepitant Impurity 34
Manufacturer: ChemScene
CAS Number: 171338-33-3
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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
C₂₀H₁₉F₆NO₂
Molecular Weight
419.36
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=CC=C3
Tpsa
30.49
Logp
5.489
H Acceptors
3
H Donors
1
Rotatable Bonds
4
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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: C₂₀H₁₉F₆NO₂
Molecular Weight: 419.36
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=CC=C3
Tpsa: 30.49
Logp: 5.489
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:
C₂₀H₁₉F₆NO₂
Molecular Weight:
419.36
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=CC=C3
Tpsa:
30.49
Logp:
5.489
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: C₅H₈N₂O
Molecular Weight: 112.13
Synonyms: None
SMILES: C(N)(=O)[C@@H]1CC=CN1
Tpsa: 55.12
Logp: -0.6527
H Acceptors: 2
H Donors: 2
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:
C₅H₈N₂O
Molecular Weight:
112.13
Synonyms:
None
SMILES:
C(N)(=O)[C@@H]1CC=CN1
Tpsa:
55.12
Logp:
-0.6527
H Acceptors:
2
H Donors:
2
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: C₂₅H₂₆N₂O₂
Molecular Weight: 386.49
Synonyms: None
SMILES: O=C(OC1CCN(CC=2C=CC=CC2)CC1)NC=3C=CC=CC3C=4C=CC=CC4
Tpsa: 41.57
Logp: 5.5667
H Acceptors: 3
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:
C₂₅H₂₆N₂O₂
Molecular Weight:
386.49
Synonyms:
None
SMILES:
O=C(OC1CCN(CC=2C=CC=CC2)CC1)NC=3C=CC=CC3C=4C=CC=CC4
Tpsa:
41.57
Logp:
5.5667
H Acceptors:
3
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: C₂₀H₂₀O₃
Molecular Weight: 308.37
Synonyms: None
SMILES: O=C(C1=CC=C(OC)C=C1)C=2C=CC=3C=C(OC3C2)CCCC
Tpsa: 39.44
Logp: 5.015
H Acceptors: 3
H Donors: 0
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:
C₂₀H₂₀O₃
Molecular Weight:
308.37
Synonyms:
None
SMILES:
O=C(C1=CC=C(OC)C=C1)C=2C=CC=3C=C(OC3C2)CCCC
Tpsa:
39.44
Logp:
5.015
H Acceptors:
3
H Donors:
0
Rotatable Bonds:
6