CS-1005114
Gadobutrol Impurity 53
Manufacturer: ChemScene
CAS Number: 87032-72-2
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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
C₄H₉ClO₃
Molecular Weight
140.57
Synonyms
None
SMILES
ClC(CO)C(O)CO
Tpsa
60.69
Logp
-1.0607
H Acceptors
3
H Donors
3
Rotatable Bonds
3
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: C₄H₉ClO₃
Molecular Weight: 140.57
Synonyms: None
SMILES: ClC(CO)C(O)CO
Tpsa: 60.69
Logp: -1.0607
H Acceptors: 3
H Donors: 3
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:
C₄H₉ClO₃
Molecular Weight:
140.57
Synonyms:
None
SMILES:
ClC(CO)C(O)CO
Tpsa:
60.69
Logp:
-1.0607
H Acceptors:
3
H Donors:
3
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: C₁₇H₂₄O₂
Molecular Weight: 260.37
Synonyms: None
SMILES: O(C(=O)C1=CC=CC=C1)[C@H]2[C@@H](C(C)C)CC[C@H](C)C2
Tpsa: 26.3
Logp: 4.3042
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:
C₁₇H₂₄O₂
Molecular Weight:
260.37
Synonyms:
None
SMILES:
O(C(=O)C1=CC=CC=C1)[C@H]2[C@@H](C(C)C)CC[C@H](C)C2
Tpsa:
26.3
Logp:
4.3042
H Acceptors:
2
H Donors:
0
Rotatable Bonds:
3
Purity: ≥95%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₈H₁₃NO₄
Molecular Weight: 187.19
Synonyms: None
SMILES: C(C(OCC)=O)N1C[C@@H](O)CC1=O
Tpsa: 66.84
Logp: -0.8573
H Acceptors: 4
H Donors: 1
Rotatable Bonds: 3
Purity:
≥95%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₈H₁₃NO₄
Molecular Weight:
187.19
Synonyms:
None
SMILES:
C(C(OCC)=O)N1C[C@@H](O)CC1=O
Tpsa:
66.84
Logp:
-0.8573
H Acceptors:
4
H Donors:
1
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: C₂₁H₂₈N₂O₂
Molecular Weight: 340.46
Synonyms: None
SMILES: [C@@H](NC1CN(C(OC(C)(C)C)=O)CC1)(C)C=2C3=C(C=CC2)C=CC=C3
Tpsa: 41.57
Logp: 4.4998
H Acceptors: 3
H Donors: 1
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:
C₂₁H₂₈N₂O₂
Molecular Weight:
340.46
Synonyms:
None
SMILES:
[C@@H](NC1CN(C(OC(C)(C)C)=O)CC1)(C)C=2C3=C(C=CC2)C=CC=C3
Tpsa:
41.57
Logp:
4.4998
H Acceptors:
3
H Donors:
1
Rotatable Bonds:
3