CS-0789926
O-Dibenzo[b,f][1,4]thiazepinyl Quetiapine
Manufacturer: ChemScene
CAS Number: 1800608-95-0
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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
C₃₄H₃₂N₄O₂S₂
Molecular Weight
592.77
Synonyms
None
SMILES
C12=CC=CC=C1N=C(N3CCN(CCOCCOC4=NC(C=CC=C5)=C5SC6=C4C=CC=C6)CC3)C7=C(C=CC=C7)S2
Tpsa
49.66
Logp
7.1234
H Acceptors
8
H Donors
0
Rotatable Bonds
6
Other Options
| Image | Product Name | Manufacturer | Price Range | |
|---|---|---|---|---|
 | 1800608-95-0 | Quetiapine EP Impurity W | A2B Chem | -- |
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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: ≥95%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₃₄H₃₂N₄O₂S₂
Molecular Weight: 592.77
Synonyms: None
SMILES: C12=CC=CC=C1N=C(N3CCN(CCOCCOC4=NC(C=CC=C5)=C5SC6=C4C=CC=C6)CC3)C7=C(C=CC=C7)S2
Tpsa: 49.66
Logp: 7.1234
H Acceptors: 8
H Donors: 0
Rotatable Bonds: 6
Purity:
≥95%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₃₄H₃₂N₄O₂S₂
Molecular Weight:
592.77
Synonyms:
None
SMILES:
C12=CC=CC=C1N=C(N3CCN(CCOCCOC4=NC(C=CC=C5)=C5SC6=C4C=CC=C6)CC3)C7=C(C=CC=C7)S2
Tpsa:
49.66
Logp:
7.1234
H Acceptors:
8
H Donors:
0
Rotatable Bonds:
6
Purity: 95%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₅H₁₀O₄
Molecular Weight: 254.24
Synonyms: None
SMILES: O=C1C2=C(C=CC(C(OC)=O)=C2)OC3=CC=CC=C31
Tpsa: 56.51
Logp: 2.7328
H Acceptors: 4
H Donors: 0
Rotatable Bonds: 1
Purity:
95%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₅H₁₀O₄
Molecular Weight:
254.24
Synonyms:
None
SMILES:
O=C1C2=C(C=CC(C(OC)=O)=C2)OC3=CC=CC=C31
Tpsa:
56.51
Logp:
2.7328
H Acceptors:
4
H Donors:
0
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: C₁₇H₂₅BO₄
Molecular Weight: 304.19
Synonyms: None
SMILES: O=C(OCC)C(C)C1=CC=C(B2OC(C)(C)C(C)(C)O2)C=C1
Tpsa: 44.76
Logp: 2.6524
H Acceptors: 4
H Donors: 0
Rotatable Bonds: 4
Purity:
97%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₇H₂₅BO₄
Molecular Weight:
304.19
Synonyms:
None
SMILES:
O=C(OCC)C(C)C1=CC=C(B2OC(C)(C)C(C)(C)O2)C=C1
Tpsa:
44.76
Logp:
2.6524
H Acceptors:
4
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: C₁₆H₁₈N₄O₅
Molecular Weight: 346.34
Synonyms: None
SMILES: OC[C@H]1O[C@@H](N2C=NC(N)=NC2=O)C[C@@H]1OC(C3=CC=C(C)C=C3)=O
Tpsa: 129.56
Logp: 0.03432
H Acceptors: 9
H Donors: 2
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:
C₁₆H₁₈N₄O₅
Molecular Weight:
346.34
Synonyms:
None
SMILES:
OC[C@H]1O[C@@H](N2C=NC(N)=NC2=O)C[C@@H]1OC(C3=CC=C(C)C=C3)=O
Tpsa:
129.56
Logp:
0.03432
H Acceptors:
9
H Donors:
2
Rotatable Bonds:
4