CS-1001562
Levothyroxine Impurity 34
Manufacturer: ChemScene
CAS Number: 149113-40-6
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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
C₁₈H₁₇I₄NO₄
Molecular Weight
818.95
Synonyms
None
SMILES
O(C1=C(I)C=C(C[C@@H](C(OC(C)C)=O)N)C=C1I)C2=CC(I)=C(O)C(I)=C2
Tpsa
81.78
Logp
5.4243
H Acceptors
5
H Donors
2
Rotatable Bonds
6
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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: C₁₈H₁₇I₄NO₄
Molecular Weight: 818.95
Synonyms: None
SMILES: O(C1=C(I)C=C(C[C@@H](C(OC(C)C)=O)N)C=C1I)C2=CC(I)=C(O)C(I)=C2
Tpsa: 81.78
Logp: 5.4243
H Acceptors: 5
H Donors: 2
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:
C₁₈H₁₇I₄NO₄
Molecular Weight:
818.95
Synonyms:
None
SMILES:
O(C1=C(I)C=C(C[C@@H](C(OC(C)C)=O)N)C=C1I)C2=CC(I)=C(O)C(I)=C2
Tpsa:
81.78
Logp:
5.4243
H Acceptors:
5
H Donors:
2
Rotatable Bonds:
6
Purity: 97%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₈H₈N₂OS
Molecular Weight: 180.23
Synonyms: None
SMILES: S=C1NC=2C=CC=C(OC)C2N1
Tpsa: 40.81
Logp: 2.23409
H Acceptors: 2
H Donors: 2
Rotatable Bonds: 1
Purity:
97%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₈H₈N₂OS
Molecular Weight:
180.23
Synonyms:
None
SMILES:
S=C1NC=2C=CC=C(OC)C2N1
Tpsa:
40.81
Logp:
2.23409
H Acceptors:
2
H Donors:
2
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: C₅₃H₅₄N₈O₉
Molecular Weight: 947.04
Synonyms: None
SMILES: C([C@H](NC(OC)=O)C1=CC=CC=C1)(=O)N2[C@H](C=3NC=4C5=C(C=C6C(=C5)OCC=7C6=CC=C(C7)C=8NC(=NC8)[C@H]9N(C([C@H](NC(OC)=O)C%10=CC=CC=C%10)=O)C[C@@H](COC)C9)C=CC4N3)C[C@H](COC)C2
Tpsa: 202.33
Logp: 7.9322
H Acceptors: 11
H Donors: 4
Rotatable Bonds: 13
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₅₃H₅₄N₈O₉
Molecular Weight:
947.04
Synonyms:
None
SMILES:
C([C@H](NC(OC)=O)C1=CC=CC=C1)(=O)N2[C@H](C=3NC=4C5=C(C=C6C(=C5)OCC=7C6=CC=C(C7)C=8NC(=NC8)[C@H]9N(C([C@H](NC(OC)=O)C%10=CC=CC=C%10)=O)C[C@@H](COC)C9)C=CC4N3)C[C@H](COC)C2
Tpsa:
202.33
Logp:
7.9322
H Acceptors:
11
H Donors:
4
Rotatable Bonds:
13
Purity: 97%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₀H₁₄N₂O₃
Molecular Weight: 210.23
Synonyms: None
SMILES: O=C(C=1C=NC=CC1)N(CCO)CCO
Tpsa: 73.66
Logp: -0.4916
H Acceptors: 4
H Donors: 2
Rotatable Bonds: 5
Purity:
97%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₀H₁₄N₂O₃
Molecular Weight:
210.23
Synonyms:
None
SMILES:
O=C(C=1C=NC=CC1)N(CCO)CCO
Tpsa:
73.66
Logp:
-0.4916
H Acceptors:
4
H Donors:
2
Rotatable Bonds:
5