CS-1003548
Gadobutrol Impurity 163
Manufacturer: ChemScene
CAS Number: 311772-46-0
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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
C₂₆H₃₆N₄O₁₂
Molecular Weight
596.58
Synonyms
None
SMILES
O=C(O)CCC(C(=O)O)N1CC=2N=C(C=CC2)CN(CCN(CC1)C(C(=O)O)CCC(=O)O)C(C(=O)O)CCC(=O)O
Tpsa
246.41
Logp
-0.0448
H Acceptors
10
H Donors
6
Rotatable Bonds
15
Related Products
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: C₂₆H₃₆N₄O₁₂
Molecular Weight: 596.58
Synonyms: None
SMILES: O=C(O)CCC(C(=O)O)N1CC=2N=C(C=CC2)CN(CCN(CC1)C(C(=O)O)CCC(=O)O)C(C(=O)O)CCC(=O)O
Tpsa: 246.41
Logp: -0.0448
H Acceptors: 10
H Donors: 6
Rotatable Bonds: 15
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₂₆H₃₆N₄O₁₂
Molecular Weight:
596.58
Synonyms:
None
SMILES:
O=C(O)CCC(C(=O)O)N1CC=2N=C(C=CC2)CN(CCN(CC1)C(C(=O)O)CCC(=O)O)C(C(=O)O)CCC(=O)O
Tpsa:
246.41
Logp:
-0.0448
H Acceptors:
10
H Donors:
6
Rotatable Bonds:
15
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₈H₈Cl₂O₂S
Molecular Weight: 239.12
Synonyms: None
SMILES: O=S(=O)(C=1C=CC=CC1)CC(Cl)Cl
Tpsa: 34.14
Logp: 2.264
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:
C₈H₈Cl₂O₂S
Molecular Weight:
239.12
Synonyms:
None
SMILES:
O=S(=O)(C=1C=CC=CC1)CC(Cl)Cl
Tpsa:
34.14
Logp:
2.264
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: C₁₄H₁₀ClNO
Molecular Weight: 243.69
Synonyms: None
SMILES: O=C1C2=NC=CC=C2CCC=3C=CC=C(Cl)C13
Tpsa: 29.96
Logp: 3.0646
H Acceptors: 2
H Donors: 0
Rotatable Bonds: 0
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₄H₁₀ClNO
Molecular Weight:
243.69
Synonyms:
None
SMILES:
O=C1C2=NC=CC=C2CCC=3C=CC=C(Cl)C13
Tpsa:
29.96
Logp:
3.0646
H Acceptors:
2
H Donors:
0
Rotatable Bonds:
0
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₀H₂₀N₂O₄
Molecular Weight: 232.28
Synonyms: None
SMILES: [C@@H](NCCN[C@H](C(O)=O)CC)(C(O)=O)CC
Tpsa: 98.66
Logp: -0.108
H Acceptors: 4
H Donors: 4
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:
C₁₀H₂₀N₂O₄
Molecular Weight:
232.28
Synonyms:
None
SMILES:
[C@@H](NCCN[C@H](C(O)=O)CC)(C(O)=O)CC
Tpsa:
98.66
Logp:
-0.108
H Acceptors:
4
H Donors:
4
Rotatable Bonds:
9