CS-1001779
Agomelatine Impurity 69
Manufacturer: ChemScene
CAS Number: 1607465-50-8
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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
C₁₄H₁₇NO₂
Molecular Weight
231.29
Synonyms
None
SMILES
O=C(NCCC1=CCCC=2C=CC(O)=CC21)C
Tpsa
49.33
Logp
2.248
H Acceptors
2
H Donors
2
Rotatable Bonds
3
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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: C₁₄H₁₇NO₂
Molecular Weight: 231.29
Synonyms: None
SMILES: O=C(NCCC1=CCCC=2C=CC(O)=CC21)C
Tpsa: 49.33
Logp: 2.248
H Acceptors: 2
H Donors: 2
Rotatable Bonds: 3
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₄H₁₇NO₂
Molecular Weight:
231.29
Synonyms:
None
SMILES:
O=C(NCCC1=CCCC=2C=CC(O)=CC21)C
Tpsa:
49.33
Logp:
2.248
H Acceptors:
2
H Donors:
2
Rotatable Bonds:
3
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₂H₁₁NS
Molecular Weight: 201.29
Synonyms: None
SMILES: SC=1C=CC=CC1NC=2C=CC=CC2
Tpsa: 12.03
Logp: 3.7189
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:
C₁₂H₁₁NS
Molecular Weight:
201.29
Synonyms:
None
SMILES:
SC=1C=CC=CC1NC=2C=CC=CC2
Tpsa:
12.03
Logp:
3.7189
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: C₂₉H₃₂O₁₀
Molecular Weight: 540.56
Synonyms: None
SMILES: O(C(C)=O)[C@]12[C@]3([C@H](OC(=O)C4=CC=CC=C4)[C@@]5(O)C(C)(C)C(C(=O)C(=O)[C@]3(C)[C@@H](O)C[C@]1(OC2)[H])=C(C)C(=O)C5)[H]
Tpsa: 153.5
Logp: 1.4982
H Acceptors: 10
H Donors: 2
Rotatable Bonds: 3
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₂₉H₃₂O₁₀
Molecular Weight:
540.56
Synonyms:
None
SMILES:
O(C(C)=O)[C@]12[C@]3([C@H](OC(=O)C4=CC=CC=C4)[C@@]5(O)C(C)(C)C(C(=O)C(=O)[C@]3(C)[C@@H](O)C[C@]1(OC2)[H])=C(C)C(=O)C5)[H]
Tpsa:
153.5
Logp:
1.4982
H Acceptors:
10
H Donors:
2
Rotatable Bonds:
3
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₇H₁₇BrO₄
Molecular Weight: 365.22
Synonyms: None
SMILES: C(OC)(=O)C1=C(OCC2=CC=CC=C2)C=CC([C@H](CBr)O)=C1
Tpsa: 55.76
Logp: 3.4805
H Acceptors: 4
H Donors: 1
Rotatable Bonds: 6
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₇H₁₇BrO₄
Molecular Weight:
365.22
Synonyms:
None
SMILES:
C(OC)(=O)C1=C(OCC2=CC=CC=C2)C=CC([C@H](CBr)O)=C1
Tpsa:
55.76
Logp:
3.4805
H Acceptors:
4
H Donors:
1
Rotatable Bonds:
6