CS-0497735
(6R,7R)-3-(Acetoxymethyl)-7-(2-(((E)-N,N'-diisopropylcarbamimidoyl)thio)acetamido)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid 5-oxide Cefathiamidine Impurity
Manufacturer: ChemScene
CAS Number: None
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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
C₁₉H₂₈N₄O₇S₂
Molecular Weight
488.58
Synonyms
None
SMILES
O=C([C@@]1([H])NC(CS/C(NC(C)C)=N/C(C)C)=O)N2[C@]1([H])S(CC(COC(C)=O)=C2C(O)=O)=O
Tpsa
154.47
Logp
-0.2008
H Acceptors
8
H Donors
3
Rotatable Bonds
8
Other Options
...
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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: C₁₉H₂₈N₄O₇S₂
Molecular Weight: 488.58
Synonyms: None
SMILES: O=C([C@@]1([H])NC(CS/C(NC(C)C)=N/C(C)C)=O)N2[C@]1([H])S(CC(COC(C)=O)=C2C(O)=O)=O
Tpsa: 154.47
Logp: -0.2008
H Acceptors: 8
H Donors: 3
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:
C₁₉H₂₈N₄O₇S₂
Molecular Weight:
488.58
Synonyms:
None
SMILES:
O=C([C@@]1([H])NC(CS/C(NC(C)C)=N/C(C)C)=O)N2[C@]1([H])S(CC(COC(C)=O)=C2C(O)=O)=O
Tpsa:
154.47
Logp:
-0.2008
H Acceptors:
8
H Donors:
3
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: C₁₇H₂₆N₄O₅S₂
Molecular Weight: 430.54
Synonyms: (6R,7R)-7-[[2-[N,N-di(propan-2-yl)carbamimidoyl]sulfanylacetyl]amino]-3-(hydroxymethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
SMILES: O=C([C@@]1([H])NC(CS/C(NC(C)C)=N/C(C)C)=O)N2[C@]1([H])SCC(CO)=C2C(O)=O
Tpsa: 131.33
Logp: 0.2129
H Acceptors: 7
H Donors: 4
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:
C₁₇H₂₆N₄O₅S₂
Molecular Weight:
430.54
Synonyms:
(6R,7R)-7-[[2-[N,N-di(propan-2-yl)carbamimidoyl]sulfanylacetyl]amino]-3-(hydroxymethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
SMILES:
O=C([C@@]1([H])NC(CS/C(NC(C)C)=N/C(C)C)=O)N2[C@]1([H])SCC(CO)=C2C(O)=O
Tpsa:
131.33
Logp:
0.2129
H Acceptors:
7
H Donors:
4
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: C₁₀H₁₁ClN₂O₅S
Molecular Weight: 306.72
Synonyms: None
SMILES: O=C([C@@]1([H])NC(CCl)=O)N2[C@]1([H])SCC(CO)=C2C(O)=O
Tpsa: 106.94
Logp: -1.0439
H Acceptors: 5
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:
C₁₀H₁₁ClN₂O₅S
Molecular Weight:
306.72
Synonyms:
None
SMILES:
O=C([C@@]1([H])NC(CCl)=O)N2[C@]1([H])SCC(CO)=C2C(O)=O
Tpsa:
106.94
Logp:
-1.0439
H Acceptors:
5
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: C₁₇H₂₆N₄O₆S₂
Molecular Weight: 446.54
Synonyms: None
SMILES: O=C([C@@]1([H])NC(CS/C(NC(C)C)=N/C(C)C)=O)N2[C@]1([H])S(CC(CO)=C2C(O)=O)=O
Tpsa: 148.4
Logp: -0.7716
H Acceptors: 7
H Donors: 4
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:
C₁₇H₂₆N₄O₆S₂
Molecular Weight:
446.54
Synonyms:
None
SMILES:
O=C([C@@]1([H])NC(CS/C(NC(C)C)=N/C(C)C)=O)N2[C@]1([H])S(CC(CO)=C2C(O)=O)=O
Tpsa:
148.4
Logp:
-0.7716
H Acceptors:
7
H Donors:
4
Rotatable Bonds:
7