CS-1001568
Sitagliptin Impurity 118
Manufacturer: ChemScene
CAS Number: 1496395-30-2
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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
C₈H₉F₃N₄O₂
Molecular Weight
250.18
Synonyms
None
SMILES
O=C(O)CN1CC2=NN=C(N2CC1)C(F)(F)F
Tpsa
71.25
Logp
0.1971
H Acceptors
5
H Donors
1
Rotatable Bonds
2
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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: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₈H₉F₃N₄O₂
Molecular Weight: 250.18
Synonyms: None
SMILES: O=C(O)CN1CC2=NN=C(N2CC1)C(F)(F)F
Tpsa: 71.25
Logp: 0.1971
H Acceptors: 5
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:
C₈H₉F₃N₄O₂
Molecular Weight:
250.18
Synonyms:
None
SMILES:
O=C(O)CN1CC2=NN=C(N2CC1)C(F)(F)F
Tpsa:
71.25
Logp:
0.1971
H Acceptors:
5
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: C₁₇H₁₈N₂O₆S₂
Molecular Weight: 410.46
Synonyms: None
SMILES: O=C(C1=CC=C(C=C1)NS(=O)(=O)C)CC(=O)C2=CC=C(C=C2)NS(=O)(=O)C
Tpsa: 126.48
Logp: 1.8853
H Acceptors: 6
H Donors: 2
Rotatable Bonds: 8
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₇H₁₈N₂O₆S₂
Molecular Weight:
410.46
Synonyms:
None
SMILES:
O=C(C1=CC=C(C=C1)NS(=O)(=O)C)CC(=O)C2=CC=C(C=C2)NS(=O)(=O)C
Tpsa:
126.48
Logp:
1.8853
H Acceptors:
6
H Donors:
2
Rotatable Bonds:
8
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₂₀H₁₈I₂O₃
Molecular Weight: 560.16
Synonyms: None
SMILES: O=C(C1=CC(I)=C(OC)C(I)=C1)C=2C=3C=CC=CC3OC2CCCC
Tpsa: 39.44
Logp: 6.2242
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:
C₂₀H₁₈I₂O₃
Molecular Weight:
560.16
Synonyms:
None
SMILES:
O=C(C1=CC(I)=C(OC)C(I)=C1)C=2C=3C=CC=CC3OC2CCCC
Tpsa:
39.44
Logp:
6.2242
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: C₂₂H₃₂O₅
Molecular Weight: 376.49
Synonyms: None
SMILES: C[C@@]12[C@]([C@]3([C@@](C=4C(CC3)=CC(OCOC)=CC4)(CC1)[H])[H])(C[C@H](O)[C@@H]2OCOC)[H]
Tpsa: 57.15
Logp: 3.4853
H Acceptors: 5
H Donors: 1
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:
C₂₂H₃₂O₅
Molecular Weight:
376.49
Synonyms:
None
SMILES:
C[C@@]12[C@]([C@]3([C@@](C=4C(CC3)=CC(OCOC)=CC4)(CC1)[H])[H])(C[C@H](O)[C@@H]2OCOC)[H]
Tpsa:
57.15
Logp:
3.4853
H Acceptors:
5
H Donors:
1
Rotatable Bonds:
6