CS-1000300
Gadobutrol Impurity 108
Manufacturer: ChemScene
CAS Number: 105855-71-8
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Purity
93%
MDL No
None
Storage
Sealed in dry,2-8℃
Shipping
Room temperature in continental US; may vary elsewhere.
Molecular Formula
C₂₂H₃₂N₄O₄S₂
Molecular Weight
480.64
Synonyms
None
SMILES
O=S(=O)(C1=CC=C(C=C1)C)N2CCNCCNCCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C
Tpsa
98.82
Logp
1.17784
H Acceptors
6
H Donors
2
Rotatable Bonds
4
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: 93%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₂₂H₃₂N₄O₄S₂
Molecular Weight: 480.64
Synonyms: None
SMILES: O=S(=O)(C1=CC=C(C=C1)C)N2CCNCCNCCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C
Tpsa: 98.82
Logp: 1.17784
H Acceptors: 6
H Donors: 2
Rotatable Bonds: 4
Purity:
93%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₂₂H₃₂N₄O₄S₂
Molecular Weight:
480.64
Synonyms:
None
SMILES:
O=S(=O)(C1=CC=C(C=C1)C)N2CCNCCNCCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C
Tpsa:
98.82
Logp:
1.17784
H Acceptors:
6
H Donors:
2
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: C₂₂H₂₁N₃O₅
Molecular Weight: 407.42
Synonyms: None
SMILES: C#CC1=CC(=CC=C1O)NC=2N=CN=C3C=C4OCCOCCOCCOC4=CC32
Tpsa: 94.96
Logp: 2.8647
H Acceptors: 8
H Donors: 2
Rotatable Bonds: 2
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₂₂H₂₁N₃O₅
Molecular Weight:
407.42
Synonyms:
None
SMILES:
C#CC1=CC(=CC=C1O)NC=2N=CN=C3C=C4OCCOCCOCCOC4=CC32
Tpsa:
94.96
Logp:
2.8647
H Acceptors:
8
H Donors:
2
Rotatable Bonds:
2
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₂₁H₂₅NO₂
Molecular Weight: 323.43
Synonyms: None
SMILES: O[C@@]12[C@]34C5=C(C[C@]1(N(CC6CC6)CC3)[H])C=CC=C5O[C@]4(C(=C)CC2)[H]
Tpsa: 32.7
Logp: 2.8069
H Acceptors: 3
H Donors: 1
Rotatable Bonds: 2
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₂₁H₂₅NO₂
Molecular Weight:
323.43
Synonyms:
None
SMILES:
O[C@@]12[C@]34C5=C(C[C@]1(N(CC6CC6)CC3)[H])C=CC=C5O[C@]4(C(=C)CC2)[H]
Tpsa:
32.7
Logp:
2.8069
H Acceptors:
3
H Donors:
1
Rotatable Bonds:
2
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₂₈H₃₇N₅O₁₀S₂
Molecular Weight: 667.75
Synonyms: None
SMILES: C(OCOC(C(C)(C)C)=O)(=O)C=1N2[C@@]([C@H](NC(/C(=C\CC)/C=3N=C(NC(OC(C)(C)C)=O)SC3)=O)C2=O)(SCC1COC(N)=O)[H]
Tpsa: 205.55
Logp: 3.1228
H Acceptors: 13
H Donors: 3
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:
C₂₈H₃₇N₅O₁₀S₂
Molecular Weight:
667.75
Synonyms:
None
SMILES:
C(OCOC(C(C)(C)C)=O)(=O)C=1N2[C@@]([C@H](NC(/C(=C\CC)/C=3N=C(NC(OC(C)(C)C)=O)SC3)=O)C2=O)(SCC1COC(N)=O)[H]
Tpsa:
205.55
Logp:
3.1228
H Acceptors:
13
H Donors:
3
Rotatable Bonds:
10