CS-0434292
4-(((3R,4R,5S,6R)-3,4-Dihydroxy-6-(hydroxymethyl)-5-(((2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)tetrahydro-2H-pyran-2-yl)amino)-1-((2R,5S)-2-(hydroxymethyl)-1,3-oxathiolan-5-yl)pyrimidin-2(1H)-one Lamivudine Impurity
Manufacturer: ChemScene
CAS Number: None
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Purity
97%
MDL No
None
Storage
4°C
Shipping
Room temperature in continental US; may vary elsewhere.
Molecular Formula
C₂₀H₃₁N₃O₁₃S
Molecular Weight
553.54
Synonyms
None
SMILES
O[C@H]1[C@@H](O[C@@H]([C@@H]([C@@H]1O)O)CO)O[C@H]2[C@@H]([C@H](C(O[C@@H]2CO)NC3=NC(N(C=C3)[C@H]4O[C@H](SC4)CO)=O)O)O
Tpsa
245.68
Logp
-5.1403
H Acceptors
17
H Donors
9
Rotatable Bonds
8
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: 97%
MDL No: None
Storage: 4°C
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₂₀H₃₁N₃O₁₃S
Molecular Weight: 553.54
Synonyms: None
SMILES: O[C@H]1[C@@H](O[C@@H]([C@@H]([C@@H]1O)O)CO)O[C@H]2[C@@H]([C@H](C(O[C@@H]2CO)NC3=NC(N(C=C3)[C@H]4O[C@H](SC4)CO)=O)O)O
Tpsa: 245.68
Logp: -5.1403
H Acceptors: 17
H Donors: 9
Rotatable Bonds: 8
Purity:
97%
MDL No:
None
Storage:
4°C
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₂₀H₃₁N₃O₁₃S
Molecular Weight:
553.54
Synonyms:
None
SMILES:
O[C@H]1[C@@H](O[C@@H]([C@@H]([C@@H]1O)O)CO)O[C@H]2[C@@H]([C@H](C(O[C@@H]2CO)NC3=NC(N(C=C3)[C@H]4O[C@H](SC4)CO)=O)O)O
Tpsa:
245.68
Logp:
-5.1403
H Acceptors:
17
H Donors:
9
Rotatable Bonds:
8
Purity: 97%
MDL No: None
Storage: 4°C
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₄H₁₇NO₅
Molecular Weight: 279.29
Synonyms: Ethyl 4-(benzyloxycarbonylamino)-3-oxobutanoate
SMILES: O=C(OCC)CC(CNC(OCC1=CC=CC=C1)=O)=O
Tpsa: 81.7
Logp: 1.4351
H Acceptors: 5
H Donors: 1
Rotatable Bonds: 7
Purity:
97%
MDL No:
None
Storage:
4°C
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₄H₁₇NO₅
Molecular Weight:
279.29
Synonyms:
Ethyl 4-(benzyloxycarbonylamino)-3-oxobutanoate
SMILES:
O=C(OCC)CC(CNC(OCC1=CC=CC=C1)=O)=O
Tpsa:
81.7
Logp:
1.4351
H Acceptors:
5
H Donors:
1
Rotatable Bonds:
7
Purity: 95%
MDL No: None
Storage: -20°C
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₂H₁₆N₂O
Molecular Weight: 204.27
Synonyms: None
SMILES: CC([C@@H]1N=C(C2=CC=CC(C)=N2)OC1)C
Tpsa: 34.48
Logp: 2.19142
H Acceptors: 3
H Donors: 0
Rotatable Bonds: 2
Purity:
95%
MDL No:
None
Storage:
-20°C
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₂H₁₆N₂O
Molecular Weight:
204.27
Synonyms:
None
SMILES:
CC([C@@H]1N=C(C2=CC=CC(C)=N2)OC1)C
Tpsa:
34.48
Logp:
2.19142
H Acceptors:
3
H Donors:
0
Rotatable Bonds:
2
Purity: 98%
MDL No: None
Storage: 4°C
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₅H₁₄N₂O
Molecular Weight: 238.28
Synonyms: None
SMILES: CC1=NC(C2=N[C@](C3=CC=CC=C3)([H])CO2)=CC=C1
Tpsa: 34.48
Logp: 2.90812
H Acceptors: 3
H Donors: 0
Rotatable Bonds: 2
Purity:
98%
MDL No:
None
Storage:
4°C
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₅H₁₄N₂O
Molecular Weight:
238.28
Synonyms:
None
SMILES:
CC1=NC(C2=N[C@](C3=CC=CC=C3)([H])CO2)=CC=C1
Tpsa:
34.48
Logp:
2.90812
H Acceptors:
3
H Donors:
0
Rotatable Bonds:
2