CS-1004831
Levothyroxine Impurity 38
Manufacturer: ChemScene
CAS Number: 77667-01-7
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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
C₁₅H₁₁BrI₃NO₄
Molecular Weight
729.87
Synonyms
None
SMILES
O(C1=CC(Br)=C(O)C(I)=C1)C2=C(I)C=C(C[C@@H](C(O)=O)N)C=C2I
Tpsa
92.78
Logp
4.7152
H Acceptors
4
H Donors
3
Rotatable Bonds
5
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: C₁₅H₁₁BrI₃NO₄
Molecular Weight: 729.87
Synonyms: None
SMILES: O(C1=CC(Br)=C(O)C(I)=C1)C2=C(I)C=C(C[C@@H](C(O)=O)N)C=C2I
Tpsa: 92.78
Logp: 4.7152
H Acceptors: 4
H Donors: 3
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:
C₁₅H₁₁BrI₃NO₄
Molecular Weight:
729.87
Synonyms:
None
SMILES:
O(C1=CC(Br)=C(O)C(I)=C1)C2=C(I)C=C(C[C@@H](C(O)=O)N)C=C2I
Tpsa:
92.78
Logp:
4.7152
H Acceptors:
4
H Donors:
3
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: C₃₄H₆₄N₂O₇S
Molecular Weight: 644.95
Synonyms: None
SMILES: O=C(OC1C(OC(C(O)C1O)C(NC(=O)C2N(C)CC(CCC)C2)C(O)C)SC)CCCCCCCCCCCCCCC
Tpsa: 128.56
Logp: 5.1752
H Acceptors: 9
H Donors: 4
Rotatable Bonds: 22
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₃₄H₆₄N₂O₇S
Molecular Weight:
644.95
Synonyms:
None
SMILES:
O=C(OC1C(OC(C(O)C1O)C(NC(=O)C2N(C)CC(CCC)C2)C(O)C)SC)CCCCCCCCCCCCCCC
Tpsa:
128.56
Logp:
5.1752
H Acceptors:
9
H Donors:
4
Rotatable Bonds:
22
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₅H₁₅FN₂O₂
Molecular Weight: 274.29
Synonyms: None
SMILES: NC1(C=2C3=C4C(=CC2F)C(=O)C=CN4[C@@H](C)CO3)CC1
Tpsa: 57.25
Logp: 2.0418
H Acceptors: 4
H Donors: 1
Rotatable Bonds: 1
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₅H₁₅FN₂O₂
Molecular Weight:
274.29
Synonyms:
None
SMILES:
NC1(C=2C3=C4C(=CC2F)C(=O)C=CN4[C@@H](C)CO3)CC1
Tpsa:
57.25
Logp:
2.0418
H Acceptors:
4
H Donors:
1
Rotatable Bonds:
1
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₁H₁₄O₃S
Molecular Weight: 226.29
Synonyms: None
SMILES: O=S(=O)(OCCC=C)C1=CC=C(C=C1)C
Tpsa: 43.37
Logp: 2.27642
H Acceptors: 3
H Donors: 0
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:
C₁₁H₁₄O₃S
Molecular Weight:
226.29
Synonyms:
None
SMILES:
O=S(=O)(OCCC=C)C1=CC=C(C=C1)C
Tpsa:
43.37
Logp:
2.27642
H Acceptors:
3
H Donors:
0
Rotatable Bonds:
5