CS-0497595
(6R,7R)-7-((Z)-2-(2-Aminothiazol-4-yl)-2-(methoxyimino)acetamido)-3-(((4-((Z)-2-(((6R,7R)-2-carboxy-3-(((2-methyl-5,6-dioxo-1,2,5,6-tetrahydro-1,2,4-triazin-3-yl)thio)methyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-7-yl)amino)-1-(methoxyimino)-2-oxoethyl)thiazol-2-yl)amino)methyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Ceftriaxone 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
C₃₂H₃₁N₁₃O₁₂S₅
Molecular Weight
949.99
Synonyms
None
SMILES
O=C(C1=O)N=C(SCC2=C(C(O)=O)N(C([C@@]3([H])NC(/C(C4=CSC(NCC5=C(C(O)=O)N(C([C@@]6([H])NC(/C(C7=CSC(N)=N7)=N\OC)=O)=O)[C@]6([H])SC5)=N4)=N\OC)=O)=O)[C@]3([H])SC2)N(N1)C
Tpsa
348.18
Logp
-1.9536
H Acceptors
23
H Donors
7
Rotatable Bonds
16
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: C₃₂H₃₁N₁₃O₁₂S₅
Molecular Weight: 949.99
Synonyms: None
SMILES: O=C(C1=O)N=C(SCC2=C(C(O)=O)N(C([C@@]3([H])NC(/C(C4=CSC(NCC5=C(C(O)=O)N(C([C@@]6([H])NC(/C(C7=CSC(N)=N7)=N\OC)=O)=O)[C@]6([H])SC5)=N4)=N\OC)=O)=O)[C@]3([H])SC2)N(N1)C
Tpsa: 348.18
Logp: -1.9536
H Acceptors: 23
H Donors: 7
Rotatable Bonds: 16
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₃₂H₃₁N₁₃O₁₂S₅
Molecular Weight:
949.99
Synonyms:
None
SMILES:
O=C(C1=O)N=C(SCC2=C(C(O)=O)N(C([C@@]3([H])NC(/C(C4=CSC(NCC5=C(C(O)=O)N(C([C@@]6([H])NC(/C(C7=CSC(N)=N7)=N\OC)=O)=O)[C@]6([H])SC5)=N4)=N\OC)=O)=O)[C@]3([H])SC2)N(N1)C
Tpsa:
348.18
Logp:
-1.9536
H Acceptors:
23
H Donors:
7
Rotatable Bonds:
16
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₅H₁₃O₅P
Molecular Weight: 184.13
Synonyms: None
SMILES: OC(C)C(O)P(OCC)(O)=O
Tpsa: 86.99
Logp: -0.0925
H Acceptors: 4
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:
C₅H₁₃O₅P
Molecular Weight:
184.13
Synonyms:
None
SMILES:
OC(C)C(O)P(OCC)(O)=O
Tpsa:
86.99
Logp:
-0.0925
H Acceptors:
4
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: C₃H₇O₅P
Molecular Weight: 154.06
Synonyms: Phosphonic acid, (3-hydroxy-2-oxopropyl)- (9CI)
SMILES: OCC(CP(O)(O)=O)=O
Tpsa: 94.83
Logp: -1.2745
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:
C₃H₇O₅P
Molecular Weight:
154.06
Synonyms:
Phosphonic acid, (3-hydroxy-2-oxopropyl)- (9CI)
SMILES:
OCC(CP(O)(O)=O)=O
Tpsa:
94.83
Logp:
-1.2745
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: C₁₄H₁₄N₂O₅S₂
Molecular Weight: 354.40
Synonyms: Desacetylcephalothin
SMILES: O=C([C@]1(NC(CC2=CC=CS2)=O)[H])N3[C@]1([H])SCC(CO)=C3C(O)=O
Tpsa: 106.94
Logp: 0.0215
H Acceptors: 6
H Donors: 3
Rotatable Bonds: 5
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₄H₁₄N₂O₅S₂
Molecular Weight:
354.40
Synonyms:
Desacetylcephalothin
SMILES:
O=C([C@]1(NC(CC2=CC=CS2)=O)[H])N3[C@]1([H])SCC(CO)=C3C(O)=O
Tpsa:
106.94
Logp:
0.0215
H Acceptors:
6
H Donors:
3
Rotatable Bonds:
5