Sugammadex Impurity 98
Manufacturer: ChemScene
CAS Number: 2379877-88-8
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Purity
97%
MDL No
None
Storage
Sealed in dry,2-8℃
Shipping
Room temperature in continental US; may vary elsewhere.
Molecular Formula
C₆₉H₁₀₇ClO₄₆S₇
Molecular Weight
1932.47
Synonyms
None
SMILES
C(SCCC(O)=O)[C@@H]1[C@]2(O[C@]3(O[C@H](CSCCC(O)=O)[C@]([C@H](O)[C@H]3O)(O[C@]4(O[C@H](CSCCC(O)=O)[C@]([C@H](O)[C@H]4O)(O[C@]5(O[C@H](CSCCC(O)=O)[C@]([C@H](O)[C@H]5O)(O[C@]6(O[C@H](CCl)[C@@](O[C@]7(O[C@H](CSCCC(O)=O)[C@@](O[C@]8(O[C@H](CSCCC(O)=O)[C@@](O[C@]9(O[C@H](CSCCC(O)=O)[C@@](O[C@@](O1)([C@H](O)[C@H]2O)[H])([C@H](O)[C@H]9O)[H])[H])([C@H](O)[C@H]8O)[H])[H])([C@H](O)C7O)[H])[H])([C@H](O)[C@H]6O)[H])[H])[H])[H])[H])[H])[H])[H])[H]
Tpsa
732.46
Logp
-7.6507
H Acceptors
46
H Donors
23
Rotatable Bonds
36
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: 97%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₆₉H₁₀₇ClO₄₆S₇
Molecular Weight: 1932.47
Synonyms: None
SMILES: C(SCCC(O)=O)[C@@H]1[C@]2(O[C@]3(O[C@H](CSCCC(O)=O)[C@]([C@H](O)[C@H]3O)(O[C@]4(O[C@H](CSCCC(O)=O)[C@]([C@H](O)[C@H]4O)(O[C@]5(O[C@H](CSCCC(O)=O)[C@]([C@H](O)[C@H]5O)(O[C@]6(O[C@H](CCl)[C@@](O[C@]7(O[C@H](CSCCC(O)=O)[C@@](O[C@]8(O[C@H](CSCCC(O)=O)[C@@](O[C@]9(O[C@H](CSCCC(O)=O)[C@@](O[C@@](O1)([C@H](O)[C@H]2O)[H])([C@H](O)[C@H]9O)[H])[H])([C@H](O)[C@H]8O)[H])[H])([C@H](O)C7O)[H])[H])([C@H](O)[C@H]6O)[H])[H])[H])[H])[H])[H])[H])[H])[H]
Tpsa: 732.46
Logp: -7.6507
H Acceptors: 46
H Donors: 23
Rotatable Bonds: 36
Purity: 97%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₈H₁₃NNa₂O₉S₂
Molecular Weight: 497.41
Synonyms: None
SMILES: O=S(OC1=CC=C(C(C2=NC=CC=C2)(C3=CC=C(C=C3)OS(=O)(O)=O)O[Na])C=C1)(O[Na])=O
Tpsa: 138.32
Logp: 1.3789
H Acceptors: 9
H Donors: 1
Rotatable Bonds: 9
Purity: 95%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₆H₈N₂O₄
Molecular Weight: 172.14
Synonyms: None
SMILES: C(O)(=O)[C@H]1NC(=O)NC(=O)CC1
Tpsa: 95.5
Logp: -0.9408
H Acceptors: 3
H Donors: 3
Rotatable Bonds: 1
