CS-0460156
(2S,3aS,7aS)-1-((S)-2-(((S)-1-Carboxybutyl)amino)propanoyl)octahydro-1H-indole-2-carboxylic acid-13C3 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
C₁₄ ₁₃C₃H₂₈N₂O₅
Molecular Weight
343.39
Synonyms
None
SMILES
O=C([C@H]1N([13C]([13C@@H](N[C@H](C(O)=O)CCC)[13CH3])=O)[C@@]2([H])CCCC[C@@]2([H])C1)O
Tpsa
106.94
Logp
1.4621
H Acceptors
4
H Donors
3
Rotatable Bonds
7
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: C₁₄ ₁₃C₃H₂₈N₂O₅
Molecular Weight: 343.39
Synonyms: None
SMILES: O=C([C@H]1N([13C]([13C@@H](N[C@H](C(O)=O)CCC)[13CH3])=O)[C@@]2([H])CCCC[C@@]2([H])C1)O
Tpsa: 106.94
Logp: 1.4621
H Acceptors: 4
H Donors: 3
Rotatable Bonds: 7
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₄ ₁₃C₃H₂₈N₂O₅
Molecular Weight:
343.39
Synonyms:
None
SMILES:
O=C([C@H]1N([13C]([13C@@H](N[C@H](C(O)=O)CCC)[13CH3])=O)[C@@]2([H])CCCC[C@@]2([H])C1)O
Tpsa:
106.94
Logp:
1.4621
H Acceptors:
4
H Donors:
3
Rotatable Bonds:
7
Purity: 98%
MDL No: None
Storage: 4°C, stored under nitrogen
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₂H₁₄O₂
Molecular Weight: 190.24
Synonyms: 6-acetyl-5-hydroxytetraline
SMILES: CC(C1=CC=C2CCCCC2=C1O)=O
Tpsa: 37.3
Logp: 2.4736
H Acceptors: 2
H Donors: 1
Rotatable Bonds: 1
Purity:
98%
MDL No:
None
Storage:
4°C, stored under nitrogen
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₂H₁₄O₂
Molecular Weight:
190.24
Synonyms:
6-acetyl-5-hydroxytetraline
SMILES:
CC(C1=CC=C2CCCCC2=C1O)=O
Tpsa:
37.3
Logp:
2.4736
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: C₉H₁₆ClNO₂
Molecular Weight: 205.68
Synonyms: (2R,3aR,7aS)-Octahydro-indole-2-carboxylic acid
SMILES: [H][C@@]12[C@](C[C@H](C(O)=O)N2)([H])CCCC1.[H]Cl
Tpsa: 49.33
Logp: 1.4135
H Acceptors: 2
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:
C₉H₁₆ClNO₂
Molecular Weight:
205.68
Synonyms:
(2R,3aR,7aS)-Octahydro-indole-2-carboxylic acid
SMILES:
[H][C@@]12[C@](C[C@H](C(O)=O)N2)([H])CCCC1.[H]Cl
Tpsa:
49.33
Logp:
1.4135
H Acceptors:
2
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: C₁₀H₁₉NO₄
Molecular Weight: 217.26
Synonyms: None
SMILES: CCC[C@@H](C(OCC)=O)N[C@@H](C(O)=O)C
Tpsa: 75.63
Logp: 0.7809
H Acceptors: 4
H Donors: 2
Rotatable Bonds: 7
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₀H₁₉NO₄
Molecular Weight:
217.26
Synonyms:
None
SMILES:
CCC[C@@H](C(OCC)=O)N[C@@H](C(O)=O)C
Tpsa:
75.63
Logp:
0.7809
H Acceptors:
4
H Donors:
2
Rotatable Bonds:
7