CS-0497568
(6R,7R)-7-((R)-2-((6R,7R)-7-((R)-2-Amino-2-phenylacetamido)-3-chloro-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxamido)-2-phenylacetamido)-3-chloro-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Cefaclor 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
C₃₀H₂₆Cl₂N₆O₇S₂
Molecular Weight
717.60
Synonyms
None
SMILES
O=C([C@@]1([H])NC([C@H](NC(C2=C(Cl)CS[C@@]3([H])N2C([C@@]3([H])NC([C@H](N)C4=CC=CC=C4)=O)=O)=O)C5=CC=CC=C5)=O)N6[C@]1([H])SCC(Cl)=C6C(O)=O
Tpsa
191.24
Logp
1.3291
H Acceptors
9
H Donors
5
Rotatable Bonds
9
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: C₃₀H₂₆Cl₂N₆O₇S₂
Molecular Weight: 717.60
Synonyms: None
SMILES: O=C([C@@]1([H])NC([C@H](NC(C2=C(Cl)CS[C@@]3([H])N2C([C@@]3([H])NC([C@H](N)C4=CC=CC=C4)=O)=O)=O)C5=CC=CC=C5)=O)N6[C@]1([H])SCC(Cl)=C6C(O)=O
Tpsa: 191.24
Logp: 1.3291
H Acceptors: 9
H Donors: 5
Rotatable Bonds: 9
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₃₀H₂₆Cl₂N₆O₇S₂
Molecular Weight:
717.60
Synonyms:
None
SMILES:
O=C([C@@]1([H])NC([C@H](NC(C2=C(Cl)CS[C@@]3([H])N2C([C@@]3([H])NC([C@H](N)C4=CC=CC=C4)=O)=O)=O)C5=CC=CC=C5)=O)N6[C@]1([H])SCC(Cl)=C6C(O)=O
Tpsa:
191.24
Logp:
1.3291
H Acceptors:
9
H Donors:
5
Rotatable Bonds:
9
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₇H₁₈NO₇P
Molecular Weight: 259.19
Synonyms: 2-(2-Amino-3-hydroxy-2-(hydroxymethyl)propoxy)-1-hydroxypropyl)phosphonic acid
SMILES: CC(OCC(CO)(N)CO)C(P(O)(O)=O)O
Tpsa: 153.47
Logp: -2.4303
H Acceptors: 6
H Donors: 6
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:
C₇H₁₈NO₇P
Molecular Weight:
259.19
Synonyms:
2-(2-Amino-3-hydroxy-2-(hydroxymethyl)propoxy)-1-hydroxypropyl)phosphonic acid
SMILES:
CC(OCC(CO)(N)CO)C(P(O)(O)=O)O
Tpsa:
153.47
Logp:
-2.4303
H Acceptors:
6
H Donors:
6
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: C₂₀H₂₀N₄O₂
Molecular Weight: 348.40
Synonyms: None
SMILES: O=C1NC(CCNC([C@@H](N)C2=CC=CC=C2)=O)=CN=C1C3=CC=CC=C3
Tpsa: 100.87
Logp: 1.7956
H Acceptors: 4
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:
C₂₀H₂₀N₄O₂
Molecular Weight:
348.40
Synonyms:
None
SMILES:
O=C1NC(CCNC([C@@H](N)C2=CC=CC=C2)=O)=CN=C1C3=CC=CC=C3
Tpsa:
100.87
Logp:
1.7956
H Acceptors:
4
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: C₁₀H₂₅NO₁₁P₂
Molecular Weight: 397.25
Synonyms: (2-(((2-(2-Amino-3-hydroxy-2-(hydroxymethyl)propoxy)-1-hydroxypropyl)hydroxyphosphoryl)oxy)-1-hydroxypropyl)phosphonic acid
SMILES: CC(OCC(CO)(N)CO)C(P(OC(C)C(O)P(O)(O)=O)(O)=O)O
Tpsa: 220.23
Logp: -2.5214
H Acceptors: 9
H Donors: 8
Rotatable Bonds: 11
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₀H₂₅NO₁₁P₂
Molecular Weight:
397.25
Synonyms:
(2-(((2-(2-Amino-3-hydroxy-2-(hydroxymethyl)propoxy)-1-hydroxypropyl)hydroxyphosphoryl)oxy)-1-hydroxypropyl)phosphonic acid
SMILES:
CC(OCC(CO)(N)CO)C(P(OC(C)C(O)P(O)(O)=O)(O)=O)O
Tpsa:
220.23
Logp:
-2.5214
H Acceptors:
9
H Donors:
8
Rotatable Bonds:
11