CS-0528902
(R)-2-(((1-(3-(2-Cyanobenzyl)-1-methyl-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)piperidin-3-yl)amino)methyl)benzonitrile Alogliptin Impurity
Manufacturer: ChemScene
CAS Number: 2749424-28-8
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Purity
98%
MDL No
None
Storage
4°C, protect from light
Shipping
Room temperature in continental US; may vary elsewhere.
Molecular Formula
C₂₆H₂₆N₆O₂
Molecular Weight
454.52
Synonyms
INDEX NAME NOT YET ASSIGNED
SMILES
O=C1N(C(N(C(N2CCC[C@H](C2)NCC3=C(C=CC=C3)C#N)=C1)CC4=C(C=CC=C4)C#N)=O)C
Tpsa
106.85
Logp
2.09726
H Acceptors
8
H Donors
1
Rotatable Bonds
6
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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: 4°C, protect from light
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₂₆H₂₆N₆O₂
Molecular Weight: 454.52
Synonyms: INDEX NAME NOT YET ASSIGNED
SMILES: O=C1N(C(N(C(N2CCC[C@H](C2)NCC3=C(C=CC=C3)C#N)=C1)CC4=C(C=CC=C4)C#N)=O)C
Tpsa: 106.85
Logp: 2.09726
H Acceptors: 8
H Donors: 1
Rotatable Bonds: 6
Purity:
98%
MDL No:
None
Storage:
4°C, protect from light
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₂₆H₂₆N₆O₂
Molecular Weight:
454.52
Synonyms:
INDEX NAME NOT YET ASSIGNED
SMILES:
O=C1N(C(N(C(N2CCC[C@H](C2)NCC3=C(C=CC=C3)C#N)=C1)CC4=C(C=CC=C4)C#N)=O)C
Tpsa:
106.85
Logp:
2.09726
H Acceptors:
8
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: C₁₈H₃₂BNO₄
Molecular Weight: 337.26
Synonyms: None
SMILES: O=C(N1CC2(CC(CB3OC(C)(C)C(C)(C)O3)C2)C1)OC(C)(C)C
Tpsa: 48
Logp: 3.7257
H Acceptors: 4
H Donors: 0
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:
C₁₈H₃₂BNO₄
Molecular Weight:
337.26
Synonyms:
None
SMILES:
O=C(N1CC2(CC(CB3OC(C)(C)C(C)(C)O3)C2)C1)OC(C)(C)C
Tpsa:
48
Logp:
3.7257
H Acceptors:
4
H Donors:
0
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: C₁₀H₈N₂O₃S
Molecular Weight: 236.25
Synonyms: Methyl 4-oxo-2-thioxo-1,2,3,4-tetrahydro-quinazoline-7-carboxylate
SMILES: O=C(C1=CC(NC(N2)=S)=C(C=C1)C2=O)OC
Tpsa: 74.95
Logp: 1.37229
H Acceptors: 4
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:
C₁₀H₈N₂O₃S
Molecular Weight:
236.25
Synonyms:
Methyl 4-oxo-2-thioxo-1,2,3,4-tetrahydro-quinazoline-7-carboxylate
SMILES:
O=C(C1=CC(NC(N2)=S)=C(C=C1)C2=O)OC
Tpsa:
74.95
Logp:
1.37229
H Acceptors:
4
H Donors:
2
Rotatable Bonds:
1
Purity: 98%
MDL No: MFCD10696684
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₄H₅N₃O
Molecular Weight: 111.10
Synonyms: 1H-Imidazole-4-carboxaldehyde,2-amino-(9CI)
SMILES: O=CC1=CN=C(N)N1
Tpsa: 71.77
Logp: -0.1956
H Acceptors: 3
H Donors: 2
Rotatable Bonds: 1
Purity:
98%
MDL No:
MFCD10696684
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₄H₅N₃O
Molecular Weight:
111.10
Synonyms:
1H-Imidazole-4-carboxaldehyde,2-amino-(9CI)
SMILES:
O=CC1=CN=C(N)N1
Tpsa:
71.77
Logp:
-0.1956
H Acceptors:
3
H Donors:
2
Rotatable Bonds:
1