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CS-0137062

Dentonin (TFA)

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

C₁₀₉H₁₆₁F₃N₃₀O₄₄

Molecular Weight

2652.61

Synonyms

AC-100 (TFA)

SMILES

O=C([C@@H](N)[C@@H](C)O)N[C@H](C(N[C@H](C(N[C@H](C(N[C@H](C(N[C@H](C(NCC(N[C@H](C(N[C@H](C(N[C@H](C(N[C@H](C(N[C@H](C(N1[C@H](C(N[C@H](C(N[C@H](C(NCC(N[C@H](C(NCC(N[C@H](C(N2[C@H](C(N[C@H](C(N[C@H](C(N[C@H](C(O)=O)CC(O)=O)=O)CCCCN)=O)CC3=CC=CC=C3)=O)CCC2)=O)CCC(N)=O)=O)=O)CC(O)=O)=O)=O)CO)=O)CC4=CC=CC=C4)=O)CCC1)=O)CO)=O)[C@H](CC)C)=O)CC(O)=O)=O)CC(N)=O)=O)CC(O)=O)=O)=O)CCCNC(N)=N)=O)CCC(O)=O)=O)CCC(N)=O)=O)CC(C)C)=O)CC(O)=O.OC(C(F)(F)F)=O

Tpsa

1224.92

Logp

-15.4162

H Acceptors

39

H Donors

39

Rotatable Bonds

83

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SAFETY INFORMATION

Pictograms

N/A

Signal Word

N/A

UN Number

N/A

Class

N/A

Packing Group

N/A

Hazard Statements

N/A

Precautionary Statements

N/A

Compare Similar Items

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Img

ChemScene

CS-0137062

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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:
C₁₀₉H₁₆₁F₃N₃₀O₄₄
Molecular Weight:
2652.61
Synonyms:
AC-100 (TFA)
SMILES:
O=C([C@@H](N)[C@@H](C)O)N[C@H](C(N[C@H](C(N[C@H](C(N[C@H](C(N[C@H](C(NCC(N[C@H](C(N[C@H](C(N[C@H](C(N[C@H](C(N[C@H](C(N1[C@H](C(N[C@H](C(N[C@H](C(NCC(N[C@H](C(NCC(N[C@H](C(N2[C@H](C(N[C@H](C(N[C@H](C(N[C@H](C(O)=O)CC(O)=O)=O)CCCCN)=O)CC3=CC=CC=C3)=O)CCC2)=O)CCC(N)=O)=O)=O)CC(O)=O)=O)=O)CO)=O)CC4=CC=CC=C4)=O)CCC1)=O)CO)=O)[C@H](CC)C)=O)CC(O)=O)=O)CC(N)=O)=O)CC(O)=O)=O)=O)CCCNC(N)=N)=O)CCC(O)=O)=O)CCC(N)=O)=O)CC(C)C)=O)CC(O)=O.OC(C(F)(F)F)=O
Tpsa:
1224.92
Logp:
-15.4162
H Acceptors:
39
H Donors:
39
Rotatable Bonds:
83

Img

ChemScene

CS-0137065

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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:
C₈H₈N₂O₂S
Molecular Weight:
196.23
Synonyms:
None
SMILES:
O=C(NC1=C2SC=C1)CN(C)C2=O
Tpsa:
49.41
Logp:
0.7722
H Acceptors:
3
H Donors:
1
Rotatable Bonds:
0

Img

ChemScene

CS-0137066

--

Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₈H₈N₂O₂S
Molecular Weight:
196.23
Synonyms:
None
SMILES:
O=C(NC1=C2C=CS1)CN(C)C2=O
Tpsa:
49.41
Logp:
0.7722
H Acceptors:
3
H Donors:
1
Rotatable Bonds:
0

Img

ChemScene

CS-0137067

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Purity:
95%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₇H₆N₂O₂S
Molecular Weight:
182.20
Synonyms:
1H,2H,3H,4H,5H-thieno[3,2-e][1,4]diazepine-2,5-dione
SMILES:
O=C(NC1=C2SC=C1)CNC2=O
Tpsa:
58.2
Logp:
0.43
H Acceptors:
3
H Donors:
2
Rotatable Bonds:
0