CS-1000177
Gadoxetate Disodium Impurity 1
Manufacturer: ChemScene
CAS Number: 101998-39-4
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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
C₁₈H₂₇NO₅
Molecular Weight
337.41
Synonyms
None
SMILES
[C@@H](CC1=CC=C(OCC)C=C1)(NC(OC(C)(C)C)=O)C(OCC)=O
Tpsa
73.86
Logp
3.0842
H Acceptors
5
H Donors
1
Rotatable Bonds
7
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: C₁₈H₂₇NO₅
Molecular Weight: 337.41
Synonyms: None
SMILES: [C@@H](CC1=CC=C(OCC)C=C1)(NC(OC(C)(C)C)=O)C(OCC)=O
Tpsa: 73.86
Logp: 3.0842
H Acceptors: 5
H Donors: 1
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:
C₁₈H₂₇NO₅
Molecular Weight:
337.41
Synonyms:
None
SMILES:
[C@@H](CC1=CC=C(OCC)C=C1)(NC(OC(C)(C)C)=O)C(OCC)=O
Tpsa:
73.86
Logp:
3.0842
H Acceptors:
5
H Donors:
1
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: C₉H₁₂N₂O₂
Molecular Weight: 180.20
Synonyms: None
SMILES: O=C(C=1C=NC=CC1)N(C)CCO
Tpsa: 53.43
Logp: 0.1459
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:
C₉H₁₂N₂O₂
Molecular Weight:
180.20
Synonyms:
None
SMILES:
O=C(C=1C=NC=CC1)N(C)CCO
Tpsa:
53.43
Logp:
0.1459
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: C₆H₁₃Cl₂N
Molecular Weight: 170.08
Synonyms: None
SMILES: ClCCCNCCCCl
Tpsa: 12.03
Logp: 1.8338
H Acceptors: 1
H Donors: 1
Rotatable Bonds: 6
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₆H₁₃Cl₂N
Molecular Weight:
170.08
Synonyms:
None
SMILES:
ClCCCNCCCCl
Tpsa:
12.03
Logp:
1.8338
H Acceptors:
1
H Donors:
1
Rotatable Bonds:
6
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₆H₂₁ClO₃
Molecular Weight: 296.79
Synonyms: None
SMILES: O=C(OCCOCCCl)C1(C=2C=CC=CC2)CCCC1
Tpsa: 35.53
Logp: 3.297
H Acceptors: 3
H Donors: 0
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:
C₁₆H₂₁ClO₃
Molecular Weight:
296.79
Synonyms:
None
SMILES:
O=C(OCCOCCCl)C1(C=2C=CC=CC2)CCCC1
Tpsa:
35.53
Logp:
3.297
H Acceptors:
3
H Donors:
0
Rotatable Bonds:
7