CS-0514026
(S)-N-Methyl-3-(naphthalen-1-yloxy)-3-(thiophen-3-yl)propan-1-amine oxalate Duloxetine Impurity
Manufacturer: ChemScene
CAS Number: 2379325-42-3
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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
C₂₀H₂₁NO₅S
Molecular Weight
387.45
Synonyms
None
SMILES
OC(C(O)=O)=O.CNCC[C@@H](C1=CSC=C1)OC2=CC=CC3=C2C=CC=C3
Tpsa
95.86
Logp
3.7865
H Acceptors
5
H Donors
3
Rotatable Bonds
6
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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: C₂₀H₂₁NO₅S
Molecular Weight: 387.45
Synonyms: None
SMILES: OC(C(O)=O)=O.CNCC[C@@H](C1=CSC=C1)OC2=CC=CC3=C2C=CC=C3
Tpsa: 95.86
Logp: 3.7865
H Acceptors: 5
H Donors: 3
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:
C₂₀H₂₁NO₅S
Molecular Weight:
387.45
Synonyms:
None
SMILES:
OC(C(O)=O)=O.CNCC[C@@H](C1=CSC=C1)OC2=CC=CC3=C2C=CC=C3
Tpsa:
95.86
Logp:
3.7865
H Acceptors:
5
H Donors:
3
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: C₈H₁₆Cl₂N₆S₂
Molecular Weight: 331.29
Synonyms: Famotidine Related Compound A Dihydrochloride
SMILES: N=C(NC1=NC(CSCCC(N)=N)=CS1)N.Cl.Cl
Tpsa: 124.66
Logp: 1.85134
H Acceptors: 5
H Donors: 5
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:
C₈H₁₆Cl₂N₆S₂
Molecular Weight:
331.29
Synonyms:
Famotidine Related Compound A Dihydrochloride
SMILES:
N=C(NC1=NC(CSCCC(N)=N)=CS1)N.Cl.Cl
Tpsa:
124.66
Logp:
1.85134
H Acceptors:
5
H Donors:
5
Rotatable Bonds:
6
Purity: 98%
MDL No: None
Storage: Store at room temperature
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₂₁H₂₄N₂O₇
Molecular Weight: 416.42
Synonyms: Dehydro nimodipine
SMILES: O=C(C1=C(C2=CC=CC([N+]([O-])=O)=C2)C(C(OC(C)C)=O)=C(C)N=C1C)OCCOC
Tpsa: 117.86
Logp: 3.64204
H Acceptors: 8
H Donors: 0
Rotatable Bonds: 8
Purity:
98%
MDL No:
None
Storage:
Store at room temperature
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₂₁H₂₄N₂O₇
Molecular Weight:
416.42
Synonyms:
Dehydro nimodipine
SMILES:
O=C(C1=C(C2=CC=CC([N+]([O-])=O)=C2)C(C(OC(C)C)=O)=C(C)N=C1C)OCCOC
Tpsa:
117.86
Logp:
3.64204
H Acceptors:
8
H Donors:
0
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: C₁₆H₂₃N₁₁O₂S₅
Molecular Weight: 561.75
Synonyms: Famotidine dimer
SMILES: O=S1(N=C(CCSCC2=CSC(NC(N)=N)=N2)NC(CCSCC3=CSC(NC(N)=N)=N3)=N1)=O
Tpsa: 220.47
Logp: 1.80214
H Acceptors: 11
H Donors: 7
Rotatable Bonds: 12
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₆H₂₃N₁₁O₂S₅
Molecular Weight:
561.75
Synonyms:
Famotidine dimer
SMILES:
O=S1(N=C(CCSCC2=CSC(NC(N)=N)=N2)NC(CCSCC3=CSC(NC(N)=N)=N3)=N1)=O
Tpsa:
220.47
Logp:
1.80214
H Acceptors:
11
H Donors:
7
Rotatable Bonds:
12