CS-1002868
Vildagliptin Impurity 65
Manufacturer: ChemScene
CAS Number: 2253194-12-4
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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
C₁₂H₁₈N₄O₂
Molecular Weight
250.30
Synonyms
None
SMILES
C(CN1[C@H](C(N)=O)CCC1)(=O)N2[C@H](C#N)CCC2
Tpsa
90.43
Logp
-0.54932
H Acceptors
4
H Donors
1
Rotatable Bonds
3
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: C₁₂H₁₈N₄O₂
Molecular Weight: 250.30
Synonyms: None
SMILES: C(CN1[C@H](C(N)=O)CCC1)(=O)N2[C@H](C#N)CCC2
Tpsa: 90.43
Logp: -0.54932
H Acceptors: 4
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:
C₁₂H₁₈N₄O₂
Molecular Weight:
250.30
Synonyms:
None
SMILES:
C(CN1[C@H](C(N)=O)CCC1)(=O)N2[C@H](C#N)CCC2
Tpsa:
90.43
Logp:
-0.54932
H Acceptors:
4
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: C₃₅H₃₈BrNO₂
Molecular Weight: 584.59
Synonyms: None
SMILES: [Br-].OC(C=1C=CC=CC1)(C=2C=CC(=CC2)C=3C=CC=CC3)C45CC[N+](CCOCC=6C=CC=CC6)(CC4)CC5
Tpsa: 29.46
Logp: 3.811
H Acceptors: 2
H Donors: 1
Rotatable Bonds: 9
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₃₅H₃₈BrNO₂
Molecular Weight:
584.59
Synonyms:
None
SMILES:
[Br-].OC(C=1C=CC=CC1)(C=2C=CC(=CC2)C=3C=CC=CC3)C45CC[N+](CCOCC=6C=CC=CC6)(CC4)CC5
Tpsa:
29.46
Logp:
3.811
H Acceptors:
2
H Donors:
1
Rotatable Bonds:
9
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₅H₃₀N₂O₃
Molecular Weight: 286.41
Synonyms: None
SMILES: [C@@H](CC(OC(C)(C)C)=O)(CN[C@H](C(N)=O)CC)CCC
Tpsa: 81.42
Logp: 1.988
H Acceptors: 4
H Donors: 2
Rotatable Bonds: 9
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₅H₃₀N₂O₃
Molecular Weight:
286.41
Synonyms:
None
SMILES:
[C@@H](CC(OC(C)(C)C)=O)(CN[C@H](C(N)=O)CC)CCC
Tpsa:
81.42
Logp:
1.988
H Acceptors:
4
H Donors:
2
Rotatable Bonds:
9
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₆H₂₂I₃N₃O₇
Molecular Weight: 749.08
Synonyms: None
SMILES: O=C(NCC(O)CO)C1=C(I)C(NCCO)=C(I)C(C(=O)NCC(O)CO)=C1I
Tpsa: 171.38
Logp: -0.9294
H Acceptors: 8
H Donors: 8
Rotatable Bonds: 11
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₆H₂₂I₃N₃O₇
Molecular Weight:
749.08
Synonyms:
None
SMILES:
O=C(NCC(O)CO)C1=C(I)C(NCCO)=C(I)C(C(=O)NCC(O)CO)=C1I
Tpsa:
171.38
Logp:
-0.9294
H Acceptors:
8
H Donors:
8
Rotatable Bonds:
11