CS-0134357
(rel)-Lopinavir
Manufacturer: ChemScene
CAS Number: 1798014-18-2
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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
C₃₇H₄₈N₄O₅
Molecular Weight
628.80
Synonyms
(rel)-ABT-378
SMILES
CC1=C(OCC(N[C@H](CC2=CC=CC=C2)[C@@H](O)C[C@@H](CC3=CC=CC=C3)NC([C@@H](C(C)C)N4C(NCCC4)=O)=O)=O)C(C)=CC=C1
Tpsa
120
Logp
4.32814
H Acceptors
5
H Donors
4
Rotatable Bonds
15
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: C₃₇H₄₈N₄O₅
Molecular Weight: 628.80
Synonyms: (rel)-ABT-378
SMILES: CC1=C(OCC(N[C@H](CC2=CC=CC=C2)[C@@H](O)C[C@@H](CC3=CC=CC=C3)NC([C@@H](C(C)C)N4C(NCCC4)=O)=O)=O)C(C)=CC=C1
Tpsa: 120
Logp: 4.32814
H Acceptors: 5
H Donors: 4
Rotatable Bonds: 15
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₃₇H₄₈N₄O₅
Molecular Weight:
628.80
Synonyms:
(rel)-ABT-378
SMILES:
CC1=C(OCC(N[C@H](CC2=CC=CC=C2)[C@@H](O)C[C@@H](CC3=CC=CC=C3)NC([C@@H](C(C)C)N4C(NCCC4)=O)=O)=O)C(C)=CC=C1
Tpsa:
120
Logp:
4.32814
H Acceptors:
5
H Donors:
4
Rotatable Bonds:
15
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₂₃H₃₂N₂O₅
Molecular Weight: 416.51
Synonyms: (2R,3aR,6aR)-HOE-498; (2R,3aR,6aR)-1-((2S)-2-(((1S)-1-(Ethoxycarbonyl)-3-phenylpropyl)amino)propanoyl)octahydrocyclopenta(b)pyrrole-2-carboxylic acid
SMILES: O=C([C@H]1C[C@](CCC2)([H])[C@]2([H])N1C([C@H](C)N[C@@H](CCC3=CC=CC=C3)C(OCC)=O)=O)O
Tpsa: 95.94
Logp: 2.3832
H Acceptors: 5
H Donors: 2
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:
C₂₃H₃₂N₂O₅
Molecular Weight:
416.51
Synonyms:
(2R,3aR,6aR)-HOE-498; (2R,3aR,6aR)-1-((2S)-2-(((1S)-1-(Ethoxycarbonyl)-3-phenylpropyl)amino)propanoyl)octahydrocyclopenta(b)pyrrole-2-carboxylic acid
SMILES:
O=C([C@H]1C[C@](CCC2)([H])[C@]2([H])N1C([C@H](C)N[C@@H](CCC3=CC=CC=C3)C(OCC)=O)=O)O
Tpsa:
95.94
Logp:
2.3832
H Acceptors:
5
H Donors:
2
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: C₁₂H₁₇Cl₃N₄S
Molecular Weight: 355.71
Synonyms: Thiamine nitrate EP Impurity C
SMILES: CC1=C(CCCl)SC=[N+]1CC2=CN=C(C)N=C2N.[H]Cl.[Cl-]
Tpsa: 55.68
Logp: -0.71996
H Acceptors: 4
H Donors: 1
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:
C₁₂H₁₇Cl₃N₄S
Molecular Weight:
355.71
Synonyms:
Thiamine nitrate EP Impurity C
SMILES:
CC1=C(CCCl)SC=[N+]1CC2=CN=C(C)N=C2N.[H]Cl.[Cl-]
Tpsa:
55.68
Logp:
-0.71996
H Acceptors:
4
H Donors:
1
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: C₂₇H₃₀F₆N₂O₂
Molecular Weight: 528.53
Synonyms: JWJOTENAMICLJG-UWKVNAJESA-N
SMILES: O=C([C@@H]1CC[C@]2([H])[C@]1(C)CC[C@]3([H])[C@@]4(C)C=CC(N[C@]4([H])CC[C@]32[H])=O)NC5=CC(C(F)(F)F)=CC=C5C(F)(F)F
Tpsa: 58.2
Logp: 6.5761
H Acceptors: 2
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:
C₂₇H₃₀F₆N₂O₂
Molecular Weight:
528.53
Synonyms:
JWJOTENAMICLJG-UWKVNAJESA-N
SMILES:
O=C([C@@H]1CC[C@]2([H])[C@]1(C)CC[C@]3([H])[C@@]4(C)C=CC(N[C@]4([H])CC[C@]32[H])=O)NC5=CC(C(F)(F)F)=CC=C5C(F)(F)F
Tpsa:
58.2
Logp:
6.5761
H Acceptors:
2
H Donors:
2
Rotatable Bonds:
2