CS-1000723
Pregabalin Impurity D
Manufacturer: ChemScene
CAS Number: 1217548-81-6
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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
C₂₆H₂₇N₃O
Molecular Weight
397.51
Synonyms
None
SMILES
[C@@H](NC(=O)C1=CC=CC=C1)([C@]2([N@@]3C[C@H](C=C)[C@](C2)(CC3)[H])[H])C=4C5=C(N=CC4)C=CC=C5
Tpsa
45.23
Logp
4.6023
H Acceptors
3
H Donors
1
Rotatable Bonds
5
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: C₂₆H₂₇N₃O
Molecular Weight: 397.51
Synonyms: None
SMILES: [C@@H](NC(=O)C1=CC=CC=C1)([C@]2([N@@]3C[C@H](C=C)[C@](C2)(CC3)[H])[H])C=4C5=C(N=CC4)C=CC=C5
Tpsa: 45.23
Logp: 4.6023
H Acceptors: 3
H Donors: 1
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:
C₂₆H₂₇N₃O
Molecular Weight:
397.51
Synonyms:
None
SMILES:
[C@@H](NC(=O)C1=CC=CC=C1)([C@]2([N@@]3C[C@H](C=C)[C@](C2)(CC3)[H])[H])C=4C5=C(N=CC4)C=CC=C5
Tpsa:
45.23
Logp:
4.6023
H Acceptors:
3
H Donors:
1
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: C₁₃H₂₂N₅O₄P
Molecular Weight: 343.32
Synonyms: None
SMILES: C([C@@H](OCP(OCC)(OCC)=O)C)N1C=2C(N=C1)=C(N)N=CN2
Tpsa: 114.38
Logp: 2.0372
H Acceptors: 9
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:
C₁₃H₂₂N₅O₄P
Molecular Weight:
343.32
Synonyms:
None
SMILES:
C([C@@H](OCP(OCC)(OCC)=O)C)N1C=2C(N=C1)=C(N)N=CN2
Tpsa:
114.38
Logp:
2.0372
H Acceptors:
9
H Donors:
1
Rotatable Bonds:
9
Purity: 95%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₈H₁₀ClN
Molecular Weight: 155.62
Synonyms: None
SMILES: ClC=1N=C(C(=CC1C)C)C
Tpsa: 12.89
Logp: 2.66026
H Acceptors: 1
H Donors: 0
Rotatable Bonds: 0
Purity:
95%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₈H₁₀ClN
Molecular Weight:
155.62
Synonyms:
None
SMILES:
ClC=1N=C(C(=CC1C)C)C
Tpsa:
12.89
Logp:
2.66026
H Acceptors:
1
H Donors:
0
Rotatable Bonds:
0
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₈H₁₇NO₅
Molecular Weight: 207.22
Synonyms: None
SMILES: C(CO)N1C(CO)[C@@H](O)[C@H](O)[C@H](O)C1
Tpsa: 104.39
Logp: -3.2621
H Acceptors: 6
H Donors: 5
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:
C₈H₁₇NO₅
Molecular Weight:
207.22
Synonyms:
None
SMILES:
C(CO)N1C(CO)[C@@H](O)[C@H](O)[C@H](O)C1
Tpsa:
104.39
Logp:
-3.2621
H Acceptors:
6
H Donors:
5
Rotatable Bonds:
3