CS-1000361
Pregabalin Impurity 125
Manufacturer: ChemScene
CAS Number: 1082077-13-1
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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
C₁₁H₂₀O₄
Molecular Weight
216.27
Synonyms
None
SMILES
O=C(O)CC(CC(=O)OCC)CC(C)C
Tpsa
63.6
Logp
2.0766
H Acceptors
3
H Donors
1
Rotatable Bonds
7
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: C₁₁H₂₀O₄
Molecular Weight: 216.27
Synonyms: None
SMILES: O=C(O)CC(CC(=O)OCC)CC(C)C
Tpsa: 63.6
Logp: 2.0766
H Acceptors: 3
H Donors: 1
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:
C₁₁H₂₀O₄
Molecular Weight:
216.27
Synonyms:
None
SMILES:
O=C(O)CC(CC(=O)OCC)CC(C)C
Tpsa:
63.6
Logp:
2.0766
H Acceptors:
3
H Donors:
1
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: C₁₃H₁₈O₅
Molecular Weight: 254.28
Synonyms: None
SMILES: O=C(OC)CCC1=CC=C(OCC(O)CO)C=C1
Tpsa: 75.99
Logp: 0.5242
H Acceptors: 5
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:
C₁₃H₁₈O₅
Molecular Weight:
254.28
Synonyms:
None
SMILES:
O=C(OC)CCC1=CC=C(OCC(O)CO)C=C1
Tpsa:
75.99
Logp:
0.5242
H Acceptors:
5
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: C₂₄H₄₀O₅
Molecular Weight: 408.57
Synonyms: None
SMILES: C[C@@]12[C@]([C@]3([C@@]([C@]4(C)[C@](C[C@@H]3O)(C[C@H](O)CC4)[H])(CC1)[H])[H])(CC[C@@]2([C@@H](C(CC(O)=O)O)C)[H])[H]
Tpsa: 97.99
Logp: 3.4487
H Acceptors: 4
H Donors: 4
Rotatable Bonds: 4
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₂₄H₄₀O₅
Molecular Weight:
408.57
Synonyms:
None
SMILES:
C[C@@]12[C@]([C@]3([C@@]([C@]4(C)[C@](C[C@@H]3O)(C[C@H](O)CC4)[H])(CC1)[H])[H])(CC[C@@]2([C@@H](C(CC(O)=O)O)C)[H])[H]
Tpsa:
97.99
Logp:
3.4487
H Acceptors:
4
H Donors:
4
Rotatable Bonds:
4
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₃₄H₃₈N₈S₂
Molecular Weight: 622.85
Synonyms: None
SMILES: N=1C=2C=CC=CC2N(C=3SC(=CC3C1N4CCN(C)CC4)C)N5C=6SC(=CC6C(=NC=7C=CC=CC75)N8CCN(C)CC8)C
Tpsa: 44.16
Logp: 6.59604
H Acceptors: 10
H Donors: 0
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:
C₃₄H₃₈N₈S₂
Molecular Weight:
622.85
Synonyms:
None
SMILES:
N=1C=2C=CC=CC2N(C=3SC(=CC3C1N4CCN(C)CC4)C)N5C=6SC(=CC6C(=NC=7C=CC=CC75)N8CCN(C)CC8)C
Tpsa:
44.16
Logp:
6.59604
H Acceptors:
10
H Donors:
0
Rotatable Bonds:
1