CS-0532956
rel-(1S,4S)-N-Methyl-4-phenyl-1,2,3,4-tetrahydronaphthalen-1-amine hydrochloride Sertraline Impurity
Manufacturer: ChemScene
CAS Number: 52758-05-1
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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
C₁₇H₂₀ClN
Molecular Weight
273.80
Synonyms
rac-cis-3,4-Deschlorosertraline
SMILES
CN[C@@H]1C2=CC=CC=C2[C@H](C3=CC=CC=C3)CC1.Cl
Tpsa
12.03
Logp
4.2946
H Acceptors
1
H Donors
1
Rotatable Bonds
2
SAFETY INFORMATION
ghsPictogramUrl
https://dev-s3.chemscene.com/web-image/physicalization/environmentally-damaging.svg
Pictograms
Signal Word
Warning
UN Number
3077
Class
9
Packing Group
Ⅲ
Hazard Statements
Precautionary Statements
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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: C₁₇H₂₀ClN
Molecular Weight: 273.80
Synonyms: rac-cis-3,4-Deschlorosertraline
SMILES: CN[C@@H]1C2=CC=CC=C2[C@H](C3=CC=CC=C3)CC1.Cl
Tpsa: 12.03
Logp: 4.2946
H Acceptors: 1
H Donors: 1
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:
C₁₇H₂₀ClN
Molecular Weight:
273.80
Synonyms:
rac-cis-3,4-Deschlorosertraline
SMILES:
CN[C@@H]1C2=CC=CC=C2[C@H](C3=CC=CC=C3)CC1.Cl
Tpsa:
12.03
Logp:
4.2946
H Acceptors:
1
H Donors:
1
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: C₂₁H₁₉ClN₄O₂S
Molecular Weight: 426.92
Synonyms: 3-Oxo ziprasidone
SMILES: O=C1NC2=CC(Cl)=C(CCN3CCN(CC3)C4=NSC5=C4C=CC=C5)C=C2C1=O
Tpsa: 65.54
Logp: 3.4492
H Acceptors: 6
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:
C₂₁H₁₉ClN₄O₂S
Molecular Weight:
426.92
Synonyms:
3-Oxo ziprasidone
SMILES:
O=C1NC2=CC(Cl)=C(CCN3CCN(CC3)C4=NSC5=C4C=CC=C5)C=C2C1=O
Tpsa:
65.54
Logp:
3.4492
H Acceptors:
6
H Donors:
1
Rotatable Bonds:
4
Purity: 98%
MDL No: MFCD13191752
Storage: -20°C
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₅H₁₁NO₄S
Molecular Weight: 181.21
Synonyms: Sulbactam Related Compound A ((2S)-2-Amino-3-methyl-3-sulfinobutanoic acid)
SMILES: OC([C@H](N)C(C)(C)S(O)=O)=O
Tpsa: 100.62
Logp: -0.6014
H Acceptors: 3
H Donors: 3
Rotatable Bonds: 3
Purity:
98%
MDL No:
MFCD13191752
Storage:
-20°C
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₅H₁₁NO₄S
Molecular Weight:
181.21
Synonyms:
Sulbactam Related Compound A ((2S)-2-Amino-3-methyl-3-sulfinobutanoic acid)
SMILES:
OC([C@H](N)C(C)(C)S(O)=O)=O
Tpsa:
100.62
Logp:
-0.6014
H Acceptors:
3
H Donors:
3
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: C₈H₁₀BrNO₅S
Molecular Weight: 312.14
Synonyms: 6beta-Bromopenicillanic acid 1,1-dioxide
SMILES: OC([C@@H]1N2[C@]([C@@H](C2=O)Br)([H])S(=O)(C1(C)C)=O)=O
Tpsa: 91.75
Logp: -0.4216
H Acceptors: 4
H Donors: 1
Rotatable Bonds: 1
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₈H₁₀BrNO₅S
Molecular Weight:
312.14
Synonyms:
6beta-Bromopenicillanic acid 1,1-dioxide
SMILES:
OC([C@@H]1N2[C@]([C@@H](C2=O)Br)([H])S(=O)(C1(C)C)=O)=O
Tpsa:
91.75
Logp:
-0.4216
H Acceptors:
4
H Donors:
1
Rotatable Bonds:
1