CS-0460172
(2S,3S,4S,5R,6S)-6-(((2S,3aS,7aS)-1-((S)-2-(((S)-1-Ethoxy-1-oxopentan-2-yl)amino)propanoyl)octahydro-1H-indole-2-carbonyl)oxy)-3,4,5-trihydroxytetrahydro-2H-pyran-2-carboxylic acid Perindopril Impurity
Manufacturer: ChemScene
CAS Number: None
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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
C₂₅H₄₀N₂O₁₁
Molecular Weight
544.59
Synonyms
None
SMILES
O=C(O[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)C(O)=O)[C@H]2N([C@]3(CCCC[C@]3(C2)[H])[H])C([C@H](C)N[C@@H](CCC)C(OCC)=O)=O
Tpsa
192.16
Logp
-0.7086
H Acceptors
11
H Donors
5
Rotatable Bonds
10
Other Options
...
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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: C₂₅H₄₀N₂O₁₁
Molecular Weight: 544.59
Synonyms: None
SMILES: O=C(O[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)C(O)=O)[C@H]2N([C@]3(CCCC[C@]3(C2)[H])[H])C([C@H](C)N[C@@H](CCC)C(OCC)=O)=O
Tpsa: 192.16
Logp: -0.7086
H Acceptors: 11
H Donors: 5
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:
C₂₅H₄₀N₂O₁₁
Molecular Weight:
544.59
Synonyms:
None
SMILES:
O=C(O[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)C(O)=O)[C@H]2N([C@]3(CCCC[C@]3(C2)[H])[H])C([C@H](C)N[C@@H](CCC)C(OCC)=O)=O
Tpsa:
192.16
Logp:
-0.7086
H Acceptors:
11
H Donors:
5
Rotatable Bonds:
10
Purity: 98%
MDL No: None
Storage: 4°C, protect from light
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₁H₂₄Cl₂N₂
Molecular Weight: 255.23
Synonyms: None
SMILES: [H]Cl.[H]Cl.C1(CC2CCNCC2)CCNCC1
Tpsa: 24.06
Logp: 2.2193
H Acceptors: 2
H Donors: 2
Rotatable Bonds: 2
Purity:
98%
MDL No:
None
Storage:
4°C, protect from light
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₁H₂₄Cl₂N₂
Molecular Weight:
255.23
Synonyms:
None
SMILES:
[H]Cl.[H]Cl.C1(CC2CCNCC2)CCNCC1
Tpsa:
24.06
Logp:
2.2193
H Acceptors:
2
H Donors:
2
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: C₂₃H₃₆N₂O₁₁
Molecular Weight: 516.54
Synonyms: Perindoprilat glucuronide
SMILES: O=C(O[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)C(O)=O)[C@H]2N([C@]3(CCCC[C@]3(C2)[H])[H])C([C@H](C)N[C@@H](CCC)C(O)=O)=O
Tpsa: 203.16
Logp: -1.1871
H Acceptors: 10
H Donors: 6
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:
C₂₃H₃₆N₂O₁₁
Molecular Weight:
516.54
Synonyms:
Perindoprilat glucuronide
SMILES:
O=C(O[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)C(O)=O)[C@H]2N([C@]3(CCCC[C@]3(C2)[H])[H])C([C@H](C)N[C@@H](CCC)C(O)=O)=O
Tpsa:
203.16
Logp:
-1.1871
H Acceptors:
10
H Donors:
6
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: C₈H₈ClN₃
Molecular Weight: 181.62
Synonyms: None
SMILES: CCC1=NNC2=C1C=NC(Cl)=C2
Tpsa: 41.57
Logp: 2.1737
H Acceptors: 2
H Donors: 1
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:
C₈H₈ClN₃
Molecular Weight:
181.62
Synonyms:
None
SMILES:
CCC1=NNC2=C1C=NC(Cl)=C2
Tpsa:
41.57
Logp:
2.1737
H Acceptors:
2
H Donors:
1
Rotatable Bonds:
1