CS-0914425
(1R,2S,2'S,6'R,7'R)-7'-((Z)-2-(2-aminothiazol-4-yl)-2-(methoxyimino)acetamido)-9-methyl-7,8,8'-trioxo-4,5'-dithia-1,1',6,9-tetraazaspiro [bicyclo[3.3.1]non[5]ene-2,3'-bicyclo[4.2.0]octane]-2'-carboxylic acid
Manufacturer: ChemScene
CAS Number: 1637561-91-1
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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
C₁₈H₁₈N₈O₇S₃
Molecular Weight
554.58
Synonyms
None
SMILES
C(O)(=O)[C@@H]1[C@]2(N3N(C)C(SC2)=NC(=O)C3=O)CS[C@]4(N1C(=O)[C@H]4NC(/C(=N/OC)/C=5N=C(N)SC5)=O)[H]
Tpsa
204.1
Logp
-2.3145
H Acceptors
15
H Donors
3
Rotatable Bonds
5
Related Products
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: C₁₈H₁₈N₈O₇S₃
Molecular Weight: 554.58
Synonyms: None
SMILES: C(O)(=O)[C@@H]1[C@]2(N3N(C)C(SC2)=NC(=O)C3=O)CS[C@]4(N1C(=O)[C@H]4NC(/C(=N/OC)/C=5N=C(N)SC5)=O)[H]
Tpsa: 204.1
Logp: -2.3145
H Acceptors: 15
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:
C₁₈H₁₈N₈O₇S₃
Molecular Weight:
554.58
Synonyms:
None
SMILES:
C(O)(=O)[C@@H]1[C@]2(N3N(C)C(SC2)=NC(=O)C3=O)CS[C@]4(N1C(=O)[C@H]4NC(/C(=N/OC)/C=5N=C(N)SC5)=O)[H]
Tpsa:
204.1
Logp:
-2.3145
H Acceptors:
15
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: C₁₃H₁₃N₅O₅S₂
Molecular Weight: 383.40
Synonyms: None
SMILES: O=C1N2[C@@]([C@@H]1NC(/C(=N\OC)/C3=CSC(N)=N3)=O)(SC=C[C@@H]2C(O)=O)[H]
Tpsa: 147.21
Logp: -0.5574
H Acceptors: 9
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:
C₁₃H₁₃N₅O₅S₂
Molecular Weight:
383.40
Synonyms:
None
SMILES:
O=C1N2[C@@]([C@@H]1NC(/C(=N\OC)/C3=CSC(N)=N3)=O)(SC=C[C@@H]2C(O)=O)[H]
Tpsa:
147.21
Logp:
-0.5574
H Acceptors:
9
H Donors:
3
Rotatable Bonds:
5
Purity: ≥95%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₆H₁₄N₂O₆S
Molecular Weight: 362.36
Synonyms: None
SMILES: O=C(O)C(=CCC(=O)O)C=1N=C(SC1)NC(=O)OCC=2C=CC=CC2
Tpsa: 125.82
Logp: 2.8345
H Acceptors: 6
H Donors: 3
Rotatable Bonds: 7
Purity:
≥95%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₆H₁₄N₂O₆S
Molecular Weight:
362.36
Synonyms:
None
SMILES:
O=C(O)C(=CCC(=O)O)C=1N=C(SC1)NC(=O)OCC=2C=CC=CC2
Tpsa:
125.82
Logp:
2.8345
H Acceptors:
6
H Donors:
3
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: C₁₃H₁₂N₂O₄S
Molecular Weight: 292.31
Synonyms: None
SMILES: O=C(O)CC=1N=C(SC1)NC(=O)OCC=2C=CC=CC2
Tpsa: 88.52
Logp: 2.5189
H Acceptors: 5
H Donors: 2
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:
C₁₃H₁₂N₂O₄S
Molecular Weight:
292.31
Synonyms:
None
SMILES:
O=C(O)CC=1N=C(SC1)NC(=O)OCC=2C=CC=CC2
Tpsa:
88.52
Logp:
2.5189
H Acceptors:
5
H Donors:
2
Rotatable Bonds:
5