CS-0532813
(S)-N-((2S,4S,5S)-5-(2-(2,6-Dimethylphenoxy)acetamido)-4-hydroxy-1,6-diphenylhexan-2-yl)-2-(3-(2-(2,6-dimethylphenoxy)acetyl)-2-oxotetrahydropyrimidin-1(2H)-yl)-3-methylbutanamide Lopinavir Impurity
Manufacturer: ChemScene
CAS Number: 943250-66-6
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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
C₄₇H₅₈N₄O₇
Molecular Weight
790.99
Synonyms
(αS)-3-[2-(2,6-Dimethylphenoxy)acetyl]-N-[(1S,3S,4S)-4-[[2-(2,6-dimethylphenoxy)acetyl]amino]-3-hydr
SMILES
CC(C=CC=C1C)=C1OCC(N[C@@H](CC2=CC=CC=C2)[C@@H](O)C[C@H](CC3=CC=CC=C3)NC([C@@H](N4C(N(CCC4)C(COC5=C(C=CC=C5C)C)=O)=O)C(C)C)=O)=O
Tpsa
137.51
Logp
6.26298
H Acceptors
7
H Donors
3
Rotatable Bonds
18
Other Options
| Image | Product Name | Manufacturer | Price Range | |
|---|---|---|---|---|
 | 943250-66-6 | (αS)-3-[2-(2,6-Dimethylphenoxy)acetyl]-N-[(1S,3S,4S)-4-[[2-(2,6-dimethylphenoxy)acetyl]amino]-3-hydroxy-5-phenyl-1-(phenylmethyl)pentyl]tetrahydro-α-(1-methylethyl)-2-oxo-1(2H)-pyrimidineacetamide | A2B Chem | -- |
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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: C₄₇H₅₈N₄O₇
Molecular Weight: 790.99
Synonyms: (αS)-3-[2-(2,6-Dimethylphenoxy)acetyl]-N-[(1S,3S,4S)-4-[[2-(2,6-dimethylphenoxy)acetyl]amino]-3-hydr
SMILES: CC(C=CC=C1C)=C1OCC(N[C@@H](CC2=CC=CC=C2)[C@@H](O)C[C@H](CC3=CC=CC=C3)NC([C@@H](N4C(N(CCC4)C(COC5=C(C=CC=C5C)C)=O)=O)C(C)C)=O)=O
Tpsa: 137.51
Logp: 6.26298
H Acceptors: 7
H Donors: 3
Rotatable Bonds: 18
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₄₇H₅₈N₄O₇
Molecular Weight:
790.99
Synonyms:
(αS)-3-[2-(2,6-Dimethylphenoxy)acetyl]-N-[(1S,3S,4S)-4-[[2-(2,6-dimethylphenoxy)acetyl]amino]-3-hydr
SMILES:
CC(C=CC=C1C)=C1OCC(N[C@@H](CC2=CC=CC=C2)[C@@H](O)C[C@H](CC3=CC=CC=C3)NC([C@@H](N4C(N(CCC4)C(COC5=C(C=CC=C5C)C)=O)=O)C(C)C)=O)=O
Tpsa:
137.51
Logp:
6.26298
H Acceptors:
7
H Donors:
3
Rotatable Bonds:
18
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₅H₁₄ClN₃O₃S
Molecular Weight: 351.81
Synonyms: Desmethyl metolazone
SMILES: O=C1C2=CC(S(=O)(N)=O)=C(C=C2NC(C)N1C3=CC=CC=C3)Cl
Tpsa: 92.5
Logp: 2.4057
H Acceptors: 4
H Donors: 2
Rotatable Bonds: 2
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₅H₁₄ClN₃O₃S
Molecular Weight:
351.81
Synonyms:
Desmethyl metolazone
SMILES:
O=C1C2=CC(S(=O)(N)=O)=C(C=C2NC(C)N1C3=CC=CC=C3)Cl
Tpsa:
92.5
Logp:
2.4057
H Acceptors:
4
H Donors:
2
Rotatable Bonds:
2
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₃₀H₅₁BrN₂O₃
Molecular Weight: 567.64
Synonyms: 17-Desacetyl Rocuronium Bromide
SMILES: C[C@@]12[C@](C[C@@]([N+]3(CCCC3)CC=C)([H])[C@@H]2O)([H])[C@@]4([H])[C@@](CC1)([H])[C@@]5([C@@](C[C@@H]([C@](N6CCOCC6)([H])C5)O)([H])CC4)C.[Br-]
Tpsa: 52.93
Logp: 0.8407
H Acceptors: 4
H Donors: 2
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:
C₃₀H₅₁BrN₂O₃
Molecular Weight:
567.64
Synonyms:
17-Desacetyl Rocuronium Bromide
SMILES:
C[C@@]12[C@](C[C@@]([N+]3(CCCC3)CC=C)([H])[C@@H]2O)([H])[C@@]4([H])[C@@](CC1)([H])[C@@]5([C@@](C[C@@H]([C@](N6CCOCC6)([H])C5)O)([H])CC4)C.[Br-]
Tpsa:
52.93
Logp:
0.8407
H Acceptors:
4
H Donors:
2
Rotatable Bonds:
4
Purity: 98%
MDL No: MFCD08063673
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₆H₁₈ClN₃
Molecular Weight: 287.79
Synonyms: Normirtazapine (hydrochloride)
SMILES: C12=CC=CN=C1N3CCNCC3C4=C(C2)C=CC=C4.Cl
Tpsa: 28.16
Logp: 2.5585
H Acceptors: 3
H Donors: 1
Rotatable Bonds: 0
Purity:
98%
MDL No:
MFCD08063673
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₆H₁₈ClN₃
Molecular Weight:
287.79
Synonyms:
Normirtazapine (hydrochloride)
SMILES:
C12=CC=CN=C1N3CCNCC3C4=C(C2)C=CC=C4.Cl
Tpsa:
28.16
Logp:
2.5585
H Acceptors:
3
H Donors:
1
Rotatable Bonds:
0