CS-0379703
2-(((5aR,6R)-1,7-Dioxo-1,3,4,5a,6,7-hexahydroazeto[2,1-b]furo[3,4-d][1,3]thiazin-6-yl)amino)-2-oxoethyl N,N'-diisopropylcarbamimidothioate Cefathiamidine Impurity
Manufacturer: ChemScene
CAS Number: 905712-22-3
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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
C₁₇H₂₄N₄O₄S₂
Molecular Weight
412.53
Synonyms
2-{[(5aR,6R)-1,7-Dioxo-1,4,6,7-tetrahydro-3H,5aH-azeto[2,1-b]furo[3,4-d][1,3]thiazin-6-yl]amino}-2-oxoethyl N,N'-diisopropylcarbamimidothioate
SMILES
O=C1N2[C@@](SCC3=C2C(OC3)=O)([H])[C@@H]1NC(CS/C(NC(C)C)=N/C(C)C)=O
Tpsa
100.1
Logp
0.6928
H Acceptors
7
H Donors
2
Rotatable Bonds
5
Other Options
| Image | Product Name | Manufacturer | Price Range | |
|---|---|---|---|---|
 | 905712-22-3 | Cefathiamidine Lactone | A2B Chem | -- |
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: C₁₇H₂₄N₄O₄S₂
Molecular Weight: 412.53
Synonyms: 2-{[(5aR,6R)-1,7-Dioxo-1,4,6,7-tetrahydro-3H,5aH-azeto[2,1-b]furo[3,4-d][1,3]thiazin-6-yl]amino}-2-oxoethyl N,N'-diisopropylcarbamimidothioate
SMILES: O=C1N2[C@@](SCC3=C2C(OC3)=O)([H])[C@@H]1NC(CS/C(NC(C)C)=N/C(C)C)=O
Tpsa: 100.1
Logp: 0.6928
H Acceptors: 7
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:
C₁₇H₂₄N₄O₄S₂
Molecular Weight:
412.53
Synonyms:
2-{[(5aR,6R)-1,7-Dioxo-1,4,6,7-tetrahydro-3H,5aH-azeto[2,1-b]furo[3,4-d][1,3]thiazin-6-yl]amino}-2-oxoethyl N,N'-diisopropylcarbamimidothioate
SMILES:
O=C1N2[C@@](SCC3=C2C(OC3)=O)([H])[C@@H]1NC(CS/C(NC(C)C)=N/C(C)C)=O
Tpsa:
100.1
Logp:
0.6928
H Acceptors:
7
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: C₁₅H₂₁N₃O₃S
Molecular Weight: 323.41
Synonyms: None
SMILES: OC([C@@H]1NC(SC1(C)C)CNC([C@@H](C2=CC=CC=C2)N)=O)=O
Tpsa: 104.45
Logp: 0.6969
H Acceptors: 5
H Donors: 4
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:
C₁₅H₂₁N₃O₃S
Molecular Weight:
323.41
Synonyms:
None
SMILES:
OC([C@@H]1NC(SC1(C)C)CNC([C@@H](C2=CC=CC=C2)N)=O)=O
Tpsa:
104.45
Logp:
0.6969
H Acceptors:
5
H Donors:
4
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: C₁₆H₁₉NO
Molecular Weight: 241.33
Synonyms: N-Methyl-gamma-phenoxybenzenepropanamine
SMILES: CNCCC(C1=CC=CC=C1)OC2=CC=CC=C2
Tpsa: 21.26
Logp: 3.4162
H Acceptors: 2
H Donors: 1
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:
C₁₆H₁₉NO
Molecular Weight:
241.33
Synonyms:
N-Methyl-gamma-phenoxybenzenepropanamine
SMILES:
CNCCC(C1=CC=CC=C1)OC2=CC=CC=C2
Tpsa:
21.26
Logp:
3.4162
H Acceptors:
2
H Donors:
1
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: C₉H₁₂N₂O₂
Molecular Weight: 180.20
Synonyms: 3-Anilinoalanine
SMILES: N[C@@H](CNC1=CC=CC=C1)C(O)=O
Tpsa: 75.35
Logp: 0.5104
H Acceptors: 3
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:
C₉H₁₂N₂O₂
Molecular Weight:
180.20
Synonyms:
3-Anilinoalanine
SMILES:
N[C@@H](CNC1=CC=CC=C1)C(O)=O
Tpsa:
75.35
Logp:
0.5104
H Acceptors:
3
H Donors:
3
Rotatable Bonds:
4