CS-0914644
Bupropion Impurity 11 ((3S,5S,6S)-Bupropion Impurity)
Manufacturer: ChemScene
CAS Number: 2133460-42-9
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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
C₁₂H₁₄ClNO₃S
Molecular Weight
287.76
Synonyms
None
SMILES
O[C@@]1([C@H](C)N[C@@H](C(O)=O)CS1)C2=CC(Cl)=CC=C2
Tpsa
69.56
Logp
1.6632
H Acceptors
4
H Donors
3
Rotatable Bonds
2
Other Options
| Image | Product Name | Manufacturer | Price Range | |
|---|---|---|---|---|
 | 2133460-42-9 | (3S,5S,6S)-6-(3-Chlorophenyl)-6-hydroxy-5-methyl-3-thiomorpholinecarboxylic acid | A2B Chem | ₹ 57,325.20 - ₹ 1,62,050.64 |
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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: C₁₂H₁₄ClNO₃S
Molecular Weight: 287.76
Synonyms: None
SMILES: O[C@@]1([C@H](C)N[C@@H](C(O)=O)CS1)C2=CC(Cl)=CC=C2
Tpsa: 69.56
Logp: 1.6632
H Acceptors: 4
H Donors: 3
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:
C₁₂H₁₄ClNO₃S
Molecular Weight:
287.76
Synonyms:
None
SMILES:
O[C@@]1([C@H](C)N[C@@H](C(O)=O)CS1)C2=CC(Cl)=CC=C2
Tpsa:
69.56
Logp:
1.6632
H Acceptors:
4
H Donors:
3
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: C₆₀H₈₆N₁₆O₁₃
Molecular Weight: 1239.42
Synonyms: None
SMILES: C([C@H](NC([C@H](CC1=CN=CN1)NC(=O)[C@H]2CCC(=O)N2)=O)C(N[C@H](C(N[C@@H](CC3=CC=C(O)C=C3)C(N[C@@H](C(N[C@H](C(N[C@H](C(=O)N4[C@H](C(NCC)=O)CCC4)CCCNC(=N)N)=O)CC(C)C)=O)COC(C)(C)C)=O)=O)CO)=O)C=5C=6C(NC5)=CC=CC6
Tpsa: 438.27
Logp: -1.45943
H Acceptors: 15
H Donors: 16
Rotatable Bonds: 32
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₆₀H₈₆N₁₆O₁₃
Molecular Weight:
1239.42
Synonyms:
None
SMILES:
C([C@H](NC([C@H](CC1=CN=CN1)NC(=O)[C@H]2CCC(=O)N2)=O)C(N[C@H](C(N[C@@H](CC3=CC=C(O)C=C3)C(N[C@@H](C(N[C@H](C(N[C@H](C(=O)N4[C@H](C(NCC)=O)CCC4)CCCNC(=N)N)=O)CC(C)C)=O)COC(C)(C)C)=O)=O)CO)=O)C=5C=6C(NC5)=CC=CC6
Tpsa:
438.27
Logp:
-1.45943
H Acceptors:
15
H Donors:
16
Rotatable Bonds:
32
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₆₀H₈₅TN₁₆O₁₃
Molecular Weight: 1241.43
Synonyms: None
SMILES: C([C@H](NC([C@H](CC1=CN=CN1[3H])NC(=O)[C@@H]2CCC(=O)N2)=O)C(N[C@H](C(N[C@@H](CC3=CC=C(O)C=C3)C(N[C@@H](C(N[C@H](C(N[C@H](C(=O)N4[C@H](C(NCC)=O)CCC4)CCCNC(=N)N)=O)CC(C)C)=O)COC(C)(C)C)=O)=O)CO)=O)C=5C=6C(NC5)=CC=CC6
Tpsa: 438.27
Logp: -1.45943
H Acceptors: 15
H Donors: 16
Rotatable Bonds: 32
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₆₀H₈₅TN₁₆O₁₃
Molecular Weight:
1241.43
Synonyms:
None
SMILES:
C([C@H](NC([C@H](CC1=CN=CN1[3H])NC(=O)[C@@H]2CCC(=O)N2)=O)C(N[C@H](C(N[C@@H](CC3=CC=C(O)C=C3)C(N[C@@H](C(N[C@H](C(N[C@H](C(=O)N4[C@H](C(NCC)=O)CCC4)CCCNC(=N)N)=O)CC(C)C)=O)COC(C)(C)C)=O)=O)CO)=O)C=5C=6C(NC5)=CC=CC6
Tpsa:
438.27
Logp:
-1.45943
H Acceptors:
15
H Donors:
16
Rotatable Bonds:
32
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₄₉H₇₄N₁₂O₁₀
Molecular Weight: 991.19
Synonyms: None
SMILES: C([C@@H](C(N[C@H](C(N[C@@H](CC1=CC=C(O)C=C1)C(N[C@@H](C(N[C@H](C(N[C@H](C(=O)N2[C@H](C(NCC)=O)CCC2)CCCNC(=N)N)=O)CC(C)C)=O)COC(C)(C)C)=O)=O)CO)=O)N)C=3C=4C(NC3)=CC=CC4
Tpsa: 348.31
Logp: -0.34613
H Acceptors: 12
H Donors: 13
Rotatable Bonds: 26
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₄₉H₇₄N₁₂O₁₀
Molecular Weight:
991.19
Synonyms:
None
SMILES:
C([C@@H](C(N[C@H](C(N[C@@H](CC1=CC=C(O)C=C1)C(N[C@@H](C(N[C@H](C(N[C@H](C(=O)N2[C@H](C(NCC)=O)CCC2)CCCNC(=N)N)=O)CC(C)C)=O)COC(C)(C)C)=O)=O)CO)=O)N)C=3C=4C(NC3)=CC=CC4
Tpsa:
348.31
Logp:
-0.34613
H Acceptors:
12
H Donors:
13
Rotatable Bonds:
26