CS-1003356
Agomelatine Impurity K
Manufacturer: ChemScene
CAS Number: 2740380-64-5
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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
C₂₆H₂₅NO₃
Molecular Weight
399.48
Synonyms
None
SMILES
O=C(NCCC1=CC=CC2=CC=C(OC)C=C21)CC3=CC=CC4=CC=C(OC)C=C43
Tpsa
47.56
Logp
4.9116
H Acceptors
3
H Donors
1
Rotatable Bonds
7
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: C₂₆H₂₅NO₃
Molecular Weight: 399.48
Synonyms: None
SMILES: O=C(NCCC1=CC=CC2=CC=C(OC)C=C21)CC3=CC=CC4=CC=C(OC)C=C43
Tpsa: 47.56
Logp: 4.9116
H Acceptors: 3
H Donors: 1
Rotatable Bonds: 7
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₂₆H₂₅NO₃
Molecular Weight:
399.48
Synonyms:
None
SMILES:
O=C(NCCC1=CC=CC2=CC=C(OC)C=C21)CC3=CC=CC4=CC=C(OC)C=C43
Tpsa:
47.56
Logp:
4.9116
H Acceptors:
3
H Donors:
1
Rotatable Bonds:
7
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₂₅H₃₂O₅
Molecular Weight: 412.52
Synonyms: None
SMILES: C(=C/[C@H]([C@H](CC#CC)C)O)\[C@@H]1[C@]2(C=3C(O[C@]2(C[C@H]1O)[H])=C(CCCC(OC)=O)C=CC3)[H]
Tpsa: 75.99
Logp: 3.3743
H Acceptors: 5
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:
C₂₅H₃₂O₅
Molecular Weight:
412.52
Synonyms:
None
SMILES:
C(=C/[C@H]([C@H](CC#CC)C)O)\[C@@H]1[C@]2(C=3C(O[C@]2(C[C@H]1O)[H])=C(CCCC(OC)=O)C=CC3)[H]
Tpsa:
75.99
Logp:
3.3743
H Acceptors:
5
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: C₂₇H₃₄O₆
Molecular Weight: 454.56
Synonyms: None
SMILES: C(=C/C([C@@H](CC#CC)C)O)\[C@@H]1[C@]2(C=3C(O[C@]2(C[C@H]1OC(C)=O)[H])=C(CCCC(OC)=O)C=CC3)[H]
Tpsa: 82.06
Logp: 3.9451
H Acceptors: 6
H Donors: 1
Rotatable Bonds: 9
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₂₇H₃₄O₆
Molecular Weight:
454.56
Synonyms:
None
SMILES:
C(=C/C([C@@H](CC#CC)C)O)\[C@@H]1[C@]2(C=3C(O[C@]2(C[C@H]1OC(C)=O)[H])=C(CCCC(OC)=O)C=CC3)[H]
Tpsa:
82.06
Logp:
3.9451
H Acceptors:
6
H Donors:
1
Rotatable Bonds:
9
Purity: 95%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₃₆H₅₃N₇O₆
Molecular Weight: 679.85
Synonyms: None
SMILES: C([C@@H](NC([C@@H](NC([C@H](CC1=CC=CC=C1)NC([C@H](CC2=CC=CC=C2)N)=O)=O)CC(C)C)=O)CCCCN)(=O)N3CCC(C(O)=O)(N)CC3
Tpsa: 222.97
Logp: 0.8331
H Acceptors: 8
H Donors: 7
Rotatable Bonds: 18
Purity:
95%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₃₆H₅₃N₇O₆
Molecular Weight:
679.85
Synonyms:
None
SMILES:
C([C@@H](NC([C@@H](NC([C@H](CC1=CC=CC=C1)NC([C@H](CC2=CC=CC=C2)N)=O)=O)CC(C)C)=O)CCCCN)(=O)N3CCC(C(O)=O)(N)CC3
Tpsa:
222.97
Logp:
0.8331
H Acceptors:
8
H Donors:
7
Rotatable Bonds:
18