CS-0616041
((3aR,4R,6R,6aR)-6-(4-Isobutyramido-2-oxopyrimidin-1(2H)-yl)-2,2-dimethyltetrahydrofuro[3,4-d][1,3]dioxol-4-yl)methyl isobutyrate Molnupiravir Impurity
Manufacturer: ChemScene
CAS Number: 2634757-84-7
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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
C₂₀H₂₉N₃O₇
Molecular Weight
423.46
Synonyms
None
SMILES
O=C1N([C@H]2[C@H](OC(C)(C)O3)[C@H]3[C@@H](COC(C(C)C)=O)O2)C=CC(NC(C(C)C)=O)=N1
Tpsa
117.98
Logp
1.4545
H Acceptors
9
H Donors
1
Rotatable Bonds
6
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: C₂₀H₂₉N₃O₇
Molecular Weight: 423.46
Synonyms: None
SMILES: O=C1N([C@H]2[C@H](OC(C)(C)O3)[C@H]3[C@@H](COC(C(C)C)=O)O2)C=CC(NC(C(C)C)=O)=N1
Tpsa: 117.98
Logp: 1.4545
H Acceptors: 9
H Donors: 1
Rotatable Bonds: 6
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₂₀H₂₉N₃O₇
Molecular Weight:
423.46
Synonyms:
None
SMILES:
O=C1N([C@H]2[C@H](OC(C)(C)O3)[C@H]3[C@@H](COC(C(C)C)=O)O2)C=CC(NC(C(C)C)=O)=N1
Tpsa:
117.98
Logp:
1.4545
H Acceptors:
9
H Donors:
1
Rotatable Bonds:
6
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₄H₂₁NO₃
Molecular Weight: 251.32
Synonyms: None
SMILES: OCCC[C@@H](C)CNC(OCC1=CC=CC=C1)=O
Tpsa: 58.56
Logp: 2.3214
H Acceptors: 3
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:
C₁₄H₂₁NO₃
Molecular Weight:
251.32
Synonyms:
None
SMILES:
OCCC[C@@H](C)CNC(OCC1=CC=CC=C1)=O
Tpsa:
58.56
Logp:
2.3214
H Acceptors:
3
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: C₂₁H₃₁N₃O₈
Molecular Weight: 453.49
Synonyms: None
SMILES: O=C1N([C@H]2[C@H](O)[C@H](OC(C(C)C)=O)[C@@H](COC(C(C)C)=O)O2)C=CC(NC(C(C)C)=O)=N1
Tpsa: 146.05
Logp: 0.8631
H Acceptors: 10
H Donors: 2
Rotatable Bonds: 8
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₂₁H₃₁N₃O₈
Molecular Weight:
453.49
Synonyms:
None
SMILES:
O=C1N([C@H]2[C@H](O)[C@H](OC(C(C)C)=O)[C@@H](COC(C(C)C)=O)O2)C=CC(NC(C(C)C)=O)=N1
Tpsa:
146.05
Logp:
0.8631
H Acceptors:
10
H Donors:
2
Rotatable Bonds:
8
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₆H₂₄BFO₃
Molecular Weight: 294.17
Synonyms: None
SMILES: OC(C)(C)CC1=CC=C(B2OC(C)(C)C(C)(C)O2)C(F)=C1
Tpsa: 38.69
Logp: 2.4383
H Acceptors: 3
H Donors: 1
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:
C₁₆H₂₄BFO₃
Molecular Weight:
294.17
Synonyms:
None
SMILES:
OC(C)(C)CC1=CC=C(B2OC(C)(C)C(C)(C)O2)C(F)=C1
Tpsa:
38.69
Logp:
2.4383
H Acceptors:
3
H Donors:
1
Rotatable Bonds:
3