CS-1003090
Linagliptin Impurity 60
Manufacturer: ChemScene
CAS Number: 2428491-17-0
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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
C₁₆H₁₃BrN₆O₂
Molecular Weight
401.22
Synonyms
None
SMILES
O=C1C=2NC(Br)=NC2N(C(=O)N1CC3=NC=4C=CC=CC4C(=N3)C)C
Tpsa
98.46
Logp
1.48572
H Acceptors
7
H Donors
1
Rotatable Bonds
2
SAFETY INFORMATION
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: C₁₆H₁₃BrN₆O₂
Molecular Weight: 401.22
Synonyms: None
SMILES: O=C1C=2NC(Br)=NC2N(C(=O)N1CC3=NC=4C=CC=CC4C(=N3)C)C
Tpsa: 98.46
Logp: 1.48572
H Acceptors: 7
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:
C₁₆H₁₃BrN₆O₂
Molecular Weight:
401.22
Synonyms:
None
SMILES:
O=C1C=2NC(Br)=NC2N(C(=O)N1CC3=NC=4C=CC=CC4C(=N3)C)C
Tpsa:
98.46
Logp:
1.48572
H Acceptors:
7
H Donors:
1
Rotatable Bonds:
2
Purity: 97%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₇H₈O₅S
Molecular Weight: 204.20
Synonyms: None
SMILES: O=S(=O)(OC)C1=CC(O)=CC=C1O
Tpsa: N/A
Logp: N/A
H Acceptors: N/A
H Donors: N/A
Rotatable Bonds: N/A
Purity:
97%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₇H₈O₅S
Molecular Weight:
204.20
Synonyms:
None
SMILES:
O=S(=O)(OC)C1=CC(O)=CC=C1O
Tpsa:
N/A
Logp:
N/A
H Acceptors:
N/A
H Donors:
N/A
Rotatable Bonds:
N/A
Purity: 97%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₄H₂₈N₂O₃
Molecular Weight: 272.38
Synonyms: None
SMILES: [C@H](CN(C(C(N)=O)CC)C)(CC(OCC)=O)CCC
Tpsa: 72.63
Logp: 1.5516
H Acceptors: 4
H Donors: 1
Rotatable Bonds: 10
Purity:
97%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₄H₂₈N₂O₃
Molecular Weight:
272.38
Synonyms:
None
SMILES:
[C@H](CN(C(C(N)=O)CC)C)(CC(OCC)=O)CCC
Tpsa:
72.63
Logp:
1.5516
H Acceptors:
4
H Donors:
1
Rotatable Bonds:
10
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₈H₁₇N₃O₂
Molecular Weight: 187.24
Synonyms: None
SMILES: [C@@H](NC([C@H](CC)N)=O)(C(N)=O)CC
Tpsa: 98.21
Logp: -0.8962
H Acceptors: 3
H Donors: 3
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:
C₈H₁₇N₃O₂
Molecular Weight:
187.24
Synonyms:
None
SMILES:
[C@@H](NC([C@H](CC)N)=O)(C(N)=O)CC
Tpsa:
98.21
Logp:
-0.8962
H Acceptors:
3
H Donors:
3
Rotatable Bonds:
5