CS-0497836
(6R-trans)-7-(2-(2-Aminothiazol-4-yl)acetamido)-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Cefotiam Impurity
Manufacturer: ChemScene
CAS Number: 58684-56-3
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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
C₁₃H₁₄N₄O₄S₂
Molecular Weight
354.40
Synonyms
None
SMILES
O=C1N2C(C(O)=O)=C(C)CS[C@]2([H])[C@@]1(NC(CC3=CSC(N)=N3)=O)[H]
Tpsa
125.62
Logp
0.0263
H Acceptors
7
H Donors
3
Rotatable Bonds
4
Other Options
| Image | Product Name | Manufacturer | Price Range | |
|---|---|---|---|---|
 | 58684-56-3 | | 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: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₃H₁₄N₄O₄S₂
Molecular Weight: 354.40
Synonyms: None
SMILES: O=C1N2C(C(O)=O)=C(C)CS[C@]2([H])[C@@]1(NC(CC3=CSC(N)=N3)=O)[H]
Tpsa: 125.62
Logp: 0.0263
H Acceptors: 7
H Donors: 3
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:
C₁₃H₁₄N₄O₄S₂
Molecular Weight:
354.40
Synonyms:
None
SMILES:
O=C1N2C(C(O)=O)=C(C)CS[C@]2([H])[C@@]1(NC(CC3=CSC(N)=N3)=O)[H]
Tpsa:
125.62
Logp:
0.0263
H Acceptors:
7
H Donors:
3
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: C₁₅H₁₆N₄O₆S₂
Molecular Weight: 412.44
Synonyms: 3-(Acetyloxymethyl)-7-[[2-(2-amino-1,3-thiazol-4-yl)acetyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
SMILES: OC(C1=C(COC(C)=O)CS[C@@]([C@@H]2NC(CC3=CSC(N)=N3)=O)([H])N1C2=O)=O
Tpsa: 151.92
Logp: -0.4305
H Acceptors: 9
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:
C₁₅H₁₆N₄O₆S₂
Molecular Weight:
412.44
Synonyms:
3-(Acetyloxymethyl)-7-[[2-(2-amino-1,3-thiazol-4-yl)acetyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
SMILES:
OC(C1=C(COC(C)=O)CS[C@@]([C@@H]2NC(CC3=CSC(N)=N3)=O)([H])N1C2=O)=O
Tpsa:
151.92
Logp:
-0.4305
H Acceptors:
9
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: C₁₆H₁₄N₂O₅S
Molecular Weight: 346.36
Synonyms: Cefamandole Impurity 13
SMILES: O=C(N[C@]([C@]1([H])N2C3=C(COC3=O)CS1)([H])C2=O)[C@@](O)([H])C4=CC=CC=C4
Tpsa: 95.94
Logp: -0.0692
H Acceptors: 6
H Donors: 2
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:
C₁₆H₁₄N₂O₅S
Molecular Weight:
346.36
Synonyms:
Cefamandole Impurity 13
SMILES:
O=C(N[C@]([C@]1([H])N2C3=C(COC3=O)CS1)([H])C2=O)[C@@](O)([H])C4=CC=CC=C4
Tpsa:
95.94
Logp:
-0.0692
H Acceptors:
6
H Donors:
2
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: C₁₀H₁₆N₄O₄S
Molecular Weight: 288.32
Synonyms: None
SMILES: O=C(NCC(OC)OC)/C(C1=CSC(N)=N1)=N\OC
Tpsa: 108.06
Logp: -0.1891
H Acceptors: 8
H Donors: 2
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:
C₁₀H₁₆N₄O₄S
Molecular Weight:
288.32
Synonyms:
None
SMILES:
O=C(NCC(OC)OC)/C(C1=CSC(N)=N1)=N\OC
Tpsa:
108.06
Logp:
-0.1891
H Acceptors:
8
H Donors:
2
Rotatable Bonds:
7