CS-1004803
Vortioxetine Impurity 42
Manufacturer: ChemScene
CAS Number: 769083-63-8
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Purity
95%
MDL No
None
Storage
Sealed in dry,2-8℃
Shipping
Room temperature in continental US; may vary elsewhere.
Molecular Formula
C₁₉H₂₄N₂O
Molecular Weight
296.41
Synonyms
None
SMILES
O(C1=CC=C(C=C1)CC2=CC(=CC=C2N3CCNCC3)C)C
Tpsa
24.5
Logp
3.00402
H Acceptors
3
H Donors
1
Rotatable Bonds
4
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: 95%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₉H₂₄N₂O
Molecular Weight: 296.41
Synonyms: None
SMILES: O(C1=CC=C(C=C1)CC2=CC(=CC=C2N3CCNCC3)C)C
Tpsa: 24.5
Logp: 3.00402
H Acceptors: 3
H Donors: 1
Rotatable Bonds: 4
Purity:
95%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₉H₂₄N₂O
Molecular Weight:
296.41
Synonyms:
None
SMILES:
O(C1=CC=C(C=C1)CC2=CC(=CC=C2N3CCNCC3)C)C
Tpsa:
24.5
Logp:
3.00402
H Acceptors:
3
H Donors:
1
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: C₂₁H₂₁NO₅S
Molecular Weight: 399.46
Synonyms: None
SMILES: C(OC(C1=CC=CC=C1)C2=CC=CC=C2)(=O)[C@@H]3N4[C@](S(=O)(=O)C3(C)C)(CC4=O)[H]
Tpsa: 80.75
Logp: 2.4532
H Acceptors: 5
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:
C₂₁H₂₁NO₅S
Molecular Weight:
399.46
Synonyms:
None
SMILES:
C(OC(C1=CC=CC=C1)C2=CC=CC=C2)(=O)[C@@H]3N4[C@](S(=O)(=O)C3(C)C)(CC4=O)[H]
Tpsa:
80.75
Logp:
2.4532
H Acceptors:
5
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: C₁₁H₁₇NO₈P₂
Molecular Weight: 353.20
Synonyms: None
SMILES: O=C(NCCCC(O)(P(=O)(O)O)P(=O)(O)O)C=1C=CC=CC1
Tpsa: 164.39
Logp: 0.1981
H Acceptors: 4
H Donors: 6
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:
C₁₁H₁₇NO₈P₂
Molecular Weight:
353.20
Synonyms:
None
SMILES:
O=C(NCCCC(O)(P(=O)(O)O)P(=O)(O)O)C=1C=CC=CC1
Tpsa:
164.39
Logp:
0.1981
H Acceptors:
4
H Donors:
6
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: C₁₈H₁₅BrCl₂O₄
Molecular Weight: 446.12
Synonyms: None
SMILES: C(Br)[C@@]1(O[C@@H](COC(=O)C2=CC=CC=C2)CO1)C3=C(Cl)C=C(Cl)C=C3
Tpsa: 44.76
Logp: 4.8135
H Acceptors: 4
H Donors: 0
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:
C₁₈H₁₅BrCl₂O₄
Molecular Weight:
446.12
Synonyms:
None
SMILES:
C(Br)[C@@]1(O[C@@H](COC(=O)C2=CC=CC=C2)CO1)C3=C(Cl)C=C(Cl)C=C3
Tpsa:
44.76
Logp:
4.8135
H Acceptors:
4
H Donors:
0
Rotatable Bonds:
5