CS-1002701
Gadobutrol Impurity 115
Manufacturer: ChemScene
CAS Number: 217975-51-4
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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
C₁₅H₂₆N₄O₇
Molecular Weight
374.39
Synonyms
None
SMILES
O=CN1CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC1
Tpsa
141.93
Logp
-2.3818
H Acceptors
7
H Donors
3
Rotatable Bonds
7
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: C₁₅H₂₆N₄O₇
Molecular Weight: 374.39
Synonyms: None
SMILES: O=CN1CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC1
Tpsa: 141.93
Logp: -2.3818
H Acceptors: 7
H Donors: 3
Rotatable Bonds: 7
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₅H₂₆N₄O₇
Molecular Weight:
374.39
Synonyms:
None
SMILES:
O=CN1CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC1
Tpsa:
141.93
Logp:
-2.3818
H Acceptors:
7
H Donors:
3
Rotatable Bonds:
7
Purity: 95%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₅H₂₀O₅
Molecular Weight: 280.32
Synonyms: None
SMILES: C(OC(CCC1=CC=C(O)C=C1)=O)[C@@H]2OC(C)(C)OC2
Tpsa: 64.99
Logp: 2.0195
H Acceptors: 5
H Donors: 1
Rotatable Bonds: 5
Purity:
95%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₅H₂₀O₅
Molecular Weight:
280.32
Synonyms:
None
SMILES:
C(OC(CCC1=CC=C(O)C=C1)=O)[C@@H]2OC(C)(C)OC2
Tpsa:
64.99
Logp:
2.0195
H Acceptors:
5
H Donors:
1
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: C₄₅H₅₆N₄O₈
Molecular Weight: 780.95
Synonyms: None
SMILES: C(C)[C@@]12[C@]3([C@@]4([C@]([C@](C(OC)=O)(O)[C@@H]1OC(C)=O)(N(C)C=5C4=CC(=C(OC)C5)[C@]6(C(OC)=O)C7=C(C=8C(N7)=CC=CC8)C[N@@]9C[C@](C6)(C[C@@H](CC)C9)[H])[H])CCN3CC=C2)[H]
Tpsa: 133.87
Logp: 4.8335
H Acceptors: 11
H Donors: 2
Rotatable Bonds: 7
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₄₅H₅₆N₄O₈
Molecular Weight:
780.95
Synonyms:
None
SMILES:
C(C)[C@@]12[C@]3([C@@]4([C@]([C@](C(OC)=O)(O)[C@@H]1OC(C)=O)(N(C)C=5C4=CC(=C(OC)C5)[C@]6(C(OC)=O)C7=C(C=8C(N7)=CC=CC8)C[N@@]9C[C@](C6)(C[C@@H](CC)C9)[H])[H])CCN3CC=C2)[H]
Tpsa:
133.87
Logp:
4.8335
H Acceptors:
11
H Donors:
2
Rotatable Bonds:
7
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₂₀H₂₈ClN₃O₄
Molecular Weight: 409.91
Synonyms: None
SMILES: O=C(NC1CCN(CCCOC)CC1)C2=CC(Cl)=C(NC(=O)C)C3=C2OCC3
Tpsa: 79.9
Logp: 2.464
H Acceptors: 5
H Donors: 2
Rotatable Bonds: 7
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₂₀H₂₈ClN₃O₄
Molecular Weight:
409.91
Synonyms:
None
SMILES:
O=C(NC1CCN(CCCOC)CC1)C2=CC(Cl)=C(NC(=O)C)C3=C2OCC3
Tpsa:
79.9
Logp:
2.464
H Acceptors:
5
H Donors:
2
Rotatable Bonds:
7