CS-0570203
4-(2-(((6R,7R)-2-((benzhydryloxy)carbonyl)-8-oxo-7-(2-phenylacetamido)-5-thia-1-azabicyclo[4.2.0]Oct-2-en-3-yl)thio)thiazol-4-yl)-1-methylpyridin-1-ium iodide
Manufacturer: ChemScene
CAS Number: 400827-70-5
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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
C₃₇H₃₁IN₄O₄S₃
Molecular Weight
818.77
Synonyms
None
SMILES
C[N+]1=CC=C(C=C1)C2=CSC(=N2)SC3=C(N4[C@@H]([C@@H](C4=O)NC(=O)CC5=CC=CC=C5)SC3)C(=O)OC(C6=CC=CC=C6)C7=CC=CC=C7.[I-]
Tpsa
92.48
Logp
2.9177
H Acceptors
8
H Donors
1
Rotatable Bonds
10
Other Options
| Image | Product Name | Manufacturer | Price Range | |
|---|---|---|---|---|
 | 400827-70-5 | 4-[2-[[(6R,7R)-2-[(Diphenylmethoxy)carbonyl]-8-oxo-7-[(phenylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl]thio]-4-thiazolyl]-1-methylpyridinium iodide | A2B Chem | -- |
SAFETY INFORMATION
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: C₃₇H₃₁IN₄O₄S₃
Molecular Weight: 818.77
Synonyms: None
SMILES: C[N+]1=CC=C(C=C1)C2=CSC(=N2)SC3=C(N4[C@@H]([C@@H](C4=O)NC(=O)CC5=CC=CC=C5)SC3)C(=O)OC(C6=CC=CC=C6)C7=CC=CC=C7.[I-]
Tpsa: 92.48
Logp: 2.9177
H Acceptors: 8
H Donors: 1
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:
C₃₇H₃₁IN₄O₄S₃
Molecular Weight:
818.77
Synonyms:
None
SMILES:
C[N+]1=CC=C(C=C1)C2=CSC(=N2)SC3=C(N4[C@@H]([C@@H](C4=O)NC(=O)CC5=CC=CC=C5)SC3)C(=O)OC(C6=CC=CC=C6)C7=CC=CC=C7.[I-]
Tpsa:
92.48
Logp:
2.9177
H Acceptors:
8
H Donors:
1
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: C₁₁H₁₅IN₂O
Molecular Weight: 318.15
Synonyms: (1R)-3-Methyl-1,2,3,4,5,6-hexahydro-1r,5c-methano-pyrido[1,2-a][1,5]diazocin-8-on,Hydroiodid
SMILES: O=C1C=CC=C2N1CC3CNC[C@@]2([H])C3.[H]I
Tpsa: 34.03
Logp: 1.173
H Acceptors: 3
H Donors: 1
Rotatable Bonds: 0
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₁H₁₅IN₂O
Molecular Weight:
318.15
Synonyms:
(1R)-3-Methyl-1,2,3,4,5,6-hexahydro-1r,5c-methano-pyrido[1,2-a][1,5]diazocin-8-on,Hydroiodid
SMILES:
O=C1C=CC=C2N1CC3CNC[C@@]2([H])C3.[H]I
Tpsa:
34.03
Logp:
1.173
H Acceptors:
3
H Donors:
1
Rotatable Bonds:
0
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₉H₁₆O₂
Molecular Weight: 156.22
Synonyms: (E)-4-Methyl-2-(pent-1-enyl)-1,3-dioxolane
SMILES: CCC/C=C/C1OCC(O1)C
Tpsa: 18.46
Logp: 2.1041
H Acceptors: 2
H Donors: 0
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:
C₉H₁₆O₂
Molecular Weight:
156.22
Synonyms:
(E)-4-Methyl-2-(pent-1-enyl)-1,3-dioxolane
SMILES:
CCC/C=C/C1OCC(O1)C
Tpsa:
18.46
Logp:
2.1041
H Acceptors:
2
H Donors:
0
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: C₁₂H₂₄N₂O
Molecular Weight: 212.33
Synonyms: 1-[2-(2-Pyrrolidin-1-ylethoxy)ethyl]pyrrolidine
SMILES: C1CCN(C1)CCOCCN2CCCC2
Tpsa: 15.71
Logp: 1.1946
H Acceptors: 3
H Donors: 0
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:
C₁₂H₂₄N₂O
Molecular Weight:
212.33
Synonyms:
1-[2-(2-Pyrrolidin-1-ylethoxy)ethyl]pyrrolidine
SMILES:
C1CCN(C1)CCOCCN2CCCC2
Tpsa:
15.71
Logp:
1.1946
H Acceptors:
3
H Donors:
0
Rotatable Bonds:
6