CS-1003374
Agomelatine Impurity 76
Manufacturer: ChemScene
CAS Number: 27533-70-6
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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
C₁₅H₁₈O₃
Molecular Weight
246.30
Synonyms
None
SMILES
O=C(OCC)CC1=CCCC=2C=CC(OC)=CC21
Tpsa
35.53
Logp
2.978
H Acceptors
3
H Donors
0
Rotatable Bonds
4
Related Products
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: C₁₅H₁₈O₃
Molecular Weight: 246.30
Synonyms: None
SMILES: O=C(OCC)CC1=CCCC=2C=CC(OC)=CC21
Tpsa: 35.53
Logp: 2.978
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:
C₁₅H₁₈O₃
Molecular Weight:
246.30
Synonyms:
None
SMILES:
O=C(OCC)CC1=CCCC=2C=CC(OC)=CC21
Tpsa:
35.53
Logp:
2.978
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: C₂₉H₃₂F₂N₂O₆S
Molecular Weight: 574.64
Synonyms: None
SMILES: O=C(OC(C)(C)C)NC=1C=CC(=CC1)C=2SC(=C(C(=O)OCC)C2C)N(C(=O)OCC)CC=3C(F)=CC=CC3F
Tpsa: 94.17
Logp: 7.68852
H Acceptors: 7
H Donors: 1
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:
C₂₉H₃₂F₂N₂O₆S
Molecular Weight:
574.64
Synonyms:
None
SMILES:
O=C(OC(C)(C)C)NC=1C=CC(=CC1)C=2SC(=C(C(=O)OCC)C2C)N(C(=O)OCC)CC=3C(F)=CC=CC3F
Tpsa:
94.17
Logp:
7.68852
H Acceptors:
7
H Donors:
1
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: C₂₂H₂₆F₃N₃O₃
Molecular Weight: 437.46
Synonyms: None
SMILES: C(N)(=O)C1=C2C(=CC(C[C@H](NCCOC3=C(OCC(F)(F)F)C=CC=C3)C)=C1)CCN2
Tpsa: 85.61
Logp: 3.2942
H Acceptors: 5
H Donors: 3
Rotatable Bonds: 10
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₂₂H₂₆F₃N₃O₃
Molecular Weight:
437.46
Synonyms:
None
SMILES:
C(N)(=O)C1=C2C(=CC(C[C@H](NCCOC3=C(OCC(F)(F)F)C=CC=C3)C)=C1)CCN2
Tpsa:
85.61
Logp:
3.2942
H Acceptors:
5
H Donors:
3
Rotatable Bonds:
10
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₁H₁₉NO₃
Molecular Weight: 213.27
Synonyms: None
SMILES: [C@H](C(O)=O)(CC)N1C[C@@H](CCC)CC1=O
Tpsa: 57.61
Logp: 1.4982
H Acceptors: 2
H Donors: 1
Rotatable Bonds: 5
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₁H₁₉NO₃
Molecular Weight:
213.27
Synonyms:
None
SMILES:
[C@H](C(O)=O)(CC)N1C[C@@H](CCC)CC1=O
Tpsa:
57.61
Logp:
1.4982
H Acceptors:
2
H Donors:
1
Rotatable Bonds:
5