CS-0533333
Benzyl 2-(2-benzyl-3-mercaptopropanamido)acetate Racecadotril Impurity
Manufacturer: ChemScene
CAS Number: 81110-69-2
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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
C₁₉H₂₁NO₃S
Molecular Weight
343.44
Synonyms
Benzyl 2-(2-benzyl-3-mercaptopropanamido)acetate
SMILES
O=C(CNC(C(CC1=CC=CC=C1)CS)=O)OCC2=CC=CC=C2
Tpsa
55.4
Logp
2.6347
H Acceptors
4
H Donors
2
Rotatable Bonds
8
Other Options
| Image | Product Name | Manufacturer | Price Range | |
|---|---|---|---|---|
 | 81110-69-2 | Benzyl 2-(2-benzyl-3-mercaptopropanamido)acetate | A2B Chem | ₹ 84,276.60 - ₹ 2,27,161.80 |
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-P330-P362+P364-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: C₁₉H₂₁NO₃S
Molecular Weight: 343.44
Synonyms: Benzyl 2-(2-benzyl-3-mercaptopropanamido)acetate
SMILES: O=C(CNC(C(CC1=CC=CC=C1)CS)=O)OCC2=CC=CC=C2
Tpsa: 55.4
Logp: 2.6347
H Acceptors: 4
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:
C₁₉H₂₁NO₃S
Molecular Weight:
343.44
Synonyms:
Benzyl 2-(2-benzyl-3-mercaptopropanamido)acetate
SMILES:
O=C(CNC(C(CC1=CC=CC=C1)CS)=O)OCC2=CC=CC=C2
Tpsa:
55.4
Logp:
2.6347
H Acceptors:
4
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: C₁₄H₁₆Cl₂O₃
Molecular Weight: 303.18
Synonyms: Methyl 2-[4-[(1RS)-2,2-dichlorocyclopropyl]phenoxy]-2-methylpropanoate
SMILES: O=C(C(C)(C)OC1=CC=C(C2CC2(Cl)Cl)C=C1)OC
Tpsa: 35.53
Logp: 3.6782
H Acceptors: 3
H Donors: 0
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:
C₁₄H₁₆Cl₂O₃
Molecular Weight:
303.18
Synonyms:
Methyl 2-[4-[(1RS)-2,2-dichlorocyclopropyl]phenoxy]-2-methylpropanoate
SMILES:
O=C(C(C)(C)OC1=CC=C(C2CC2(Cl)Cl)C=C1)OC
Tpsa:
35.53
Logp:
3.6782
H Acceptors:
3
H Donors:
0
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: C₃₈H₄₀N₂O₆S₂
Molecular Weight: 684.86
Synonyms: Racecadotril Impurity 8（Racecadotril EP Impurity H）
SMILES: O=C(CNC(C(CC1=CC=CC=C1)CSSCC(CC2=CC=CC=C2)C(NCC(OCC3=CC=CC=C3)=O)=O)=O)OCC4=CC=CC=C4
Tpsa: 110.8
Logp: 5.8048
H Acceptors: 8
H Donors: 2
Rotatable Bonds: 19
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₃₈H₄₀N₂O₆S₂
Molecular Weight:
684.86
Synonyms:
Racecadotril Impurity 8（Racecadotril EP Impurity H）
SMILES:
O=C(CNC(C(CC1=CC=CC=C1)CSSCC(CC2=CC=CC=C2)C(NCC(OCC3=CC=CC=C3)=O)=O)=O)OCC4=CC=CC=C4
Tpsa:
110.8
Logp:
5.8048
H Acceptors:
8
H Donors:
2
Rotatable Bonds:
19
Purity: 98%
MDL No: MFCD28898455
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₅₉H₆₂Cl₂N₈O₂₂
Molecular Weight: 1306.07
Synonyms: Desvancosaminyl vancomycin
SMILES: ClC1=CC([C@H]([C@H](C(N[C@H](C(N[C@@]2([H])C(N[C@]3([H])C4=CC=C(O)C(C5=C(O)C=C(O)C=C5[C@H](NC([C@](NC3=O)([H])[C@@H](C6=CC=C(O7)C(Cl)=C6)O)=O)C(O)=O)=C4)=O)=O)CC(N)=O)=O)NC([C@H](NC)CC(C)C)=O)O)=CC=C1OC8=C(C7=CC2=C8)O[C@@H]9O[C@@H]([C@H]([C@@H]([C@H]9O)O)O)CO
Tpsa: 486.01
Logp: -0.1313
H Acceptors: 22
H Donors: 18
Rotatable Bonds: 11
Purity:
98%
MDL No:
MFCD28898455
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₅₉H₆₂Cl₂N₈O₂₂
Molecular Weight:
1306.07
Synonyms:
Desvancosaminyl vancomycin
SMILES:
ClC1=CC([C@H]([C@H](C(N[C@H](C(N[C@@]2([H])C(N[C@]3([H])C4=CC=C(O)C(C5=C(O)C=C(O)C=C5[C@H](NC([C@](NC3=O)([H])[C@@H](C6=CC=C(O7)C(Cl)=C6)O)=O)C(O)=O)=C4)=O)=O)CC(N)=O)=O)NC([C@H](NC)CC(C)C)=O)O)=CC=C1OC8=C(C7=CC2=C8)O[C@@H]9O[C@@H]([C@H]([C@@H]([C@H]9O)O)O)CO
Tpsa:
486.01
Logp:
-0.1313
H Acceptors:
22
H Donors:
18
Rotatable Bonds:
11