CS-0498010
(2S,5R,6R)-3,3-Dimethyl-7-oxo-6-(2-phenylacetamido)-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid 4,4-dioxide Penicillin 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
C₁₆H₁₈N₂O₆S
Molecular Weight
366.39
Synonyms
None
SMILES
CC1(C)S([C@]2([H])[C@](C(N2[C@H]1C(O)=O)=O)([H])NC(CC3=CC=CC=C3)=O)(=O)=O
Tpsa
120.85
Logp
-0.4576
H Acceptors
5
H Donors
2
Rotatable Bonds
4
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: C₁₆H₁₈N₂O₆S
Molecular Weight: 366.39
Synonyms: None
SMILES: CC1(C)S([C@]2([H])[C@](C(N2[C@H]1C(O)=O)=O)([H])NC(CC3=CC=CC=C3)=O)(=O)=O
Tpsa: 120.85
Logp: -0.4576
H Acceptors: 5
H Donors: 2
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:
C₁₆H₁₈N₂O₆S
Molecular Weight:
366.39
Synonyms:
None
SMILES:
CC1(C)S([C@]2([H])[C@](C(N2[C@H]1C(O)=O)=O)([H])NC(CC3=CC=CC=C3)=O)(=O)=O
Tpsa:
120.85
Logp:
-0.4576
H Acceptors:
5
H Donors:
2
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: C₂₃H₂₅N₅O₈S
Molecular Weight: 531.54
Synonyms: None
SMILES: OC1=CC=C([C@](NC(N2CCN(CC)C(C2=O)=O)=O)([H])C(N[C@]3([H])C(N4[C@]3([H])SCC(C)=C4C(O)=O)=O)=O)C=C1
Tpsa: 176.66
Logp: -0.4079
H Acceptors: 8
H Donors: 4
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:
C₂₃H₂₅N₅O₈S
Molecular Weight:
531.54
Synonyms:
None
SMILES:
OC1=CC=C([C@](NC(N2CCN(CC)C(C2=O)=O)=O)([H])C(N[C@]3([H])C(N4[C@]3([H])SCC(C)=C4C(O)=O)=O)=O)C=C1
Tpsa:
176.66
Logp:
-0.4079
H Acceptors:
8
H Donors:
4
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: C₂₁H₂₇N₅O₁₀S₂
Molecular Weight: 573.60
Synonyms: None
SMILES: [H][C@@]1(NC(/C(C2=CSC(N)=N2)=N\OC)=O)C(N3[C@]1([H])S(CC(COC)=C3C(O[C@H](OC(OC(C)C)=O)C)=O)=O)=O
Tpsa: 198.04
Logp: -0.1575
H Acceptors: 14
H Donors: 2
Rotatable Bonds: 10
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₂₁H₂₇N₅O₁₀S₂
Molecular Weight:
573.60
Synonyms:
None
SMILES:
[H][C@@]1(NC(/C(C2=CSC(N)=N2)=N\OC)=O)C(N3[C@]1([H])S(CC(COC)=C3C(O[C@H](OC(OC(C)C)=O)C)=O)=O)=O
Tpsa:
198.04
Logp:
-0.1575
H Acceptors:
14
H Donors:
2
Rotatable Bonds:
10
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₂₀H₂₅N₅O₉S₂
Molecular Weight: 543.57
Synonyms: 5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 7-[[(2-amino-4-thiazolyl)(methoxyimino)acetyl]amino]-3-(methoxymethyl)-8-oxo-, 1-[(ethoxycarbonyl)oxy]ethyl ester, [6R-[2(R*),6α,7β(Z)]]- (9CI)
SMILES: [H][C@@]1(NC(/C(C2=CSC(N)=N2)=N\OC)=O)C(N3[C@]1([H])SCC(COC)=C3C(O[C@H](OC(OCC)=O)C)=O)=O
Tpsa: 180.97
Logp: 0.4385
H Acceptors: 14
H Donors: 2
Rotatable Bonds: 10
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₂₀H₂₅N₅O₉S₂
Molecular Weight:
543.57
Synonyms:
5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 7-[[(2-amino-4-thiazolyl)(methoxyimino)acetyl]amino]-3-(methoxymethyl)-8-oxo-, 1-[(ethoxycarbonyl)oxy]ethyl ester, [6R-[2(R*),6α,7β(Z)]]- (9CI)
SMILES:
[H][C@@]1(NC(/C(C2=CSC(N)=N2)=N\OC)=O)C(N3[C@]1([H])SCC(COC)=C3C(O[C@H](OC(OCC)=O)C)=O)=O
Tpsa:
180.97
Logp:
0.4385
H Acceptors:
14
H Donors:
2
Rotatable Bonds:
10