CS-1003058
Gadobutrol Impurity 162
Manufacturer: ChemScene
CAS Number: 2410182-15-7
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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
C₃₈H₆₀N₄O₁₂
Molecular Weight
764.90
Synonyms
None
SMILES
O=C(OCC)CCC(C(=O)OCC)N1CC=2N=C(C=CC2)CN(CCN(CC1)C(C(=O)OCC)CCC(=O)OCC)C(C(=O)OCC)CCC(=O)OCC
Tpsa
180.41
Logp
2.8262
H Acceptors
16
H Donors
0
Rotatable Bonds
21
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: C₃₈H₆₀N₄O₁₂
Molecular Weight: 764.90
Synonyms: None
SMILES: O=C(OCC)CCC(C(=O)OCC)N1CC=2N=C(C=CC2)CN(CCN(CC1)C(C(=O)OCC)CCC(=O)OCC)C(C(=O)OCC)CCC(=O)OCC
Tpsa: 180.41
Logp: 2.8262
H Acceptors: 16
H Donors: 0
Rotatable Bonds: 21
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₃₈H₆₀N₄O₁₂
Molecular Weight:
764.90
Synonyms:
None
SMILES:
O=C(OCC)CCC(C(=O)OCC)N1CC=2N=C(C=CC2)CN(CCN(CC1)C(C(=O)OCC)CCC(=O)OCC)C(C(=O)OCC)CCC(=O)OCC
Tpsa:
180.41
Logp:
2.8262
H Acceptors:
16
H Donors:
0
Rotatable Bonds:
21
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₂₂H₃₀BrN₅O₃
Molecular Weight: 492.41
Synonyms: None
SMILES: O=C(OC(C)(C)C)N1CCN(C=2N=CC3=C(N2)N(C(=O)C(Br)=C3C)C4CCCC4)CC1
Tpsa: 80.56
Logp: 4.03462
H Acceptors: 7
H Donors: 0
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:
C₂₂H₃₀BrN₅O₃
Molecular Weight:
492.41
Synonyms:
None
SMILES:
O=C(OC(C)(C)C)N1CCN(C=2N=CC3=C(N2)N(C(=O)C(Br)=C3C)C4CCCC4)CC1
Tpsa:
80.56
Logp:
4.03462
H Acceptors:
7
H Donors:
0
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: C₃₆H₄₃N₃O₄
Molecular Weight: 581.74
Synonyms: None
SMILES: O=C(O)C(C1=CC=C(C=C1)CCN2C=3C=CC=CC3N=C2C4CCN(CCC5=CC=C(C=C5)C(C(=O)O)(C)C)CC4)(C)C
Tpsa: 95.66
Logp: 6.4255
H Acceptors: 5
H Donors: 2
Rotatable Bonds: 11
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₃₆H₄₃N₃O₄
Molecular Weight:
581.74
Synonyms:
None
SMILES:
O=C(O)C(C1=CC=C(C=C1)CCN2C=3C=CC=CC3N=C2C4CCN(CCC5=CC=C(C=C5)C(C(=O)O)(C)C)CC4)(C)C
Tpsa:
95.66
Logp:
6.4255
H Acceptors:
5
H Donors:
2
Rotatable Bonds:
11
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₈H₂₆ClN₃O
Molecular Weight: 335.87
Synonyms: None
SMILES: ClC=1C=CC=2C(=NC=CC2OCCN(CC)CCCC(N)C)C1
Tpsa: 51.38
Logp: 3.7163
H Acceptors: 4
H Donors: 1
Rotatable Bonds: 9
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₈H₂₆ClN₃O
Molecular Weight:
335.87
Synonyms:
None
SMILES:
ClC=1C=CC=2C(=NC=CC2OCCN(CC)CCCC(N)C)C1
Tpsa:
51.38
Logp:
3.7163
H Acceptors:
4
H Donors:
1
Rotatable Bonds:
9