CS-0497739
(6R,7R)-7-(2-(((E)-N,N'-Diisopropylcarbamimidoyl)thio)acetamido)-3-(hydroxymethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Cefathiamidine Impurity
Manufacturer: ChemScene
CAS Number: 958001-61-1
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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
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
Other Options
| Image | Product Name | Manufacturer | Price Range | |
|---|---|---|---|---|
 | 958001-61-1 | Desacetyl Cefathiamidine | 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-P330-P362+P364-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: 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
Purity: 98%
MDL No: None
Storage: 4°C
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₉H₈ClNO₃
Molecular Weight: 213.62
Synonyms: 4-Pyridinecarboxylic acid, 5-acetyl-2-chloro-, methyl ester
SMILES: O=C(C1=CC(Cl)=NC=C1C(C)=O)OC
Tpsa: 56.26
Logp: 1.7242
H Acceptors: 4
H Donors: 0
Rotatable Bonds: 2
Purity:
98%
MDL No:
None
Storage:
4°C
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₉H₈ClNO₃
Molecular Weight:
213.62
Synonyms:
4-Pyridinecarboxylic acid, 5-acetyl-2-chloro-, methyl ester
SMILES:
O=C(C1=CC(Cl)=NC=C1C(C)=O)OC
Tpsa:
56.26
Logp:
1.7242
H Acceptors:
4
H Donors:
0
Rotatable Bonds:
2