CS-1001668
Emodepside Impurity 1
Manufacturer: ChemScene
CAS Number: 155030-65-2
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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
C₅₂H₇₄N₆O₁₆
Molecular Weight
1039.17
Synonyms
None
SMILES
C([C@@H]1C(=O)N(C)[C@@H](CC(C)C)C(=O)O[C@H](C)C(=O)N(C)[C@@H](CC(C)C)C(=O)O[C@H](CC2=CC=C(N(=O)=O)C=C2)C(=O)N(C)[C@@H](CC(C)C)C(=O)O[C@H](C)C(=O)N(C)[C@@H](CC(C)C)C(=O)O1)C3=CC=C(N(=O)=O)C=C3
Tpsa
272.72
Logp
5.4812
H Acceptors
16
H Donors
0
Rotatable Bonds
14
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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: C₅₂H₇₄N₆O₁₆
Molecular Weight: 1039.17
Synonyms: None
SMILES: C([C@@H]1C(=O)N(C)[C@@H](CC(C)C)C(=O)O[C@H](C)C(=O)N(C)[C@@H](CC(C)C)C(=O)O[C@H](CC2=CC=C(N(=O)=O)C=C2)C(=O)N(C)[C@@H](CC(C)C)C(=O)O[C@H](C)C(=O)N(C)[C@@H](CC(C)C)C(=O)O1)C3=CC=C(N(=O)=O)C=C3
Tpsa: 272.72
Logp: 5.4812
H Acceptors: 16
H Donors: 0
Rotatable Bonds: 14
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₅₂H₇₄N₆O₁₆
Molecular Weight:
1039.17
Synonyms:
None
SMILES:
C([C@@H]1C(=O)N(C)[C@@H](CC(C)C)C(=O)O[C@H](C)C(=O)N(C)[C@@H](CC(C)C)C(=O)O[C@H](CC2=CC=C(N(=O)=O)C=C2)C(=O)N(C)[C@@H](CC(C)C)C(=O)O[C@H](C)C(=O)N(C)[C@@H](CC(C)C)C(=O)O1)C3=CC=C(N(=O)=O)C=C3
Tpsa:
272.72
Logp:
5.4812
H Acceptors:
16
H Donors:
0
Rotatable Bonds:
14
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₅₇H₁₀₄O₉
Molecular Weight: 933.43
Synonyms: None
SMILES: O=C(OCC(OC(=O)CCCCCCCC=CCC(O)CCCCCC)COC(=O)CCCCCCCC=CCC(O)CCCCCC)CCCCCCCC=CCC(O)CCCCCC
Tpsa: 139.59
Logp: 15.0095
H Acceptors: 9
H Donors: 3
Rotatable Bonds: 50
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₅₇H₁₀₄O₉
Molecular Weight:
933.43
Synonyms:
None
SMILES:
O=C(OCC(OC(=O)CCCCCCCC=CCC(O)CCCCCC)COC(=O)CCCCCCCC=CCC(O)CCCCCC)CCCCCCCC=CCC(O)CCCCCC
Tpsa:
139.59
Logp:
15.0095
H Acceptors:
9
H Donors:
3
Rotatable Bonds:
50
Purity: 97%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₅H₉NO₄
Molecular Weight: 147.13
Synonyms: None
SMILES: C(O)[C@@H]1[C@@H](O)[C@@H](O)C(=O)N1
Tpsa: 89.79
Logp: -2.8011
H Acceptors: 4
H Donors: 4
Rotatable Bonds: 1
Purity:
97%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₅H₉NO₄
Molecular Weight:
147.13
Synonyms:
None
SMILES:
C(O)[C@@H]1[C@@H](O)[C@@H](O)C(=O)N1
Tpsa:
89.79
Logp:
-2.8011
H Acceptors:
4
H Donors:
4
Rotatable Bonds:
1
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₁H₁₀N₂O
Molecular Weight: 186.21
Synonyms: None
SMILES: N=C(N)C1=CC=C2C=CC(O)=CC2=C1
Tpsa: 70.1
Logp: 1.82947
H Acceptors: 2
H Donors: 3
Rotatable Bonds: 1
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₁H₁₀N₂O
Molecular Weight:
186.21
Synonyms:
None
SMILES:
N=C(N)C1=CC=C2C=CC(O)=CC2=C1
Tpsa:
70.1
Logp:
1.82947
H Acceptors:
2
H Donors:
3
Rotatable Bonds:
1