CS-1002525
Edoxaban Impurity 36
Manufacturer: ChemScene
CAS Number: 2081883-57-8
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Purity
≥95%
MDL No
None
Storage
Sealed in dry,2-8℃
Shipping
Room temperature in continental US; may vary elsewhere.
Molecular Formula
C₁₄H₂₇N₃O₃
Molecular Weight
285.38
Synonyms
None
SMILES
N(C(OC(C)(C)C)=O)[C@@H]1C[C@H](C(N(C)C)=O)CC[C@@H]1N
Tpsa
84.66
Logp
1.0953
H Acceptors
4
H Donors
2
Rotatable Bonds
2
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: ≥95%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₄H₂₇N₃O₃
Molecular Weight: 285.38
Synonyms: None
SMILES: N(C(OC(C)(C)C)=O)[C@@H]1C[C@H](C(N(C)C)=O)CC[C@@H]1N
Tpsa: 84.66
Logp: 1.0953
H Acceptors: 4
H Donors: 2
Rotatable Bonds: 2
Purity:
≥95%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₄H₂₇N₃O₃
Molecular Weight:
285.38
Synonyms:
None
SMILES:
N(C(OC(C)(C)C)=O)[C@@H]1C[C@H](C(N(C)C)=O)CC[C@@H]1N
Tpsa:
84.66
Logp:
1.0953
H Acceptors:
4
H Donors:
2
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: C₄H₉N₃O₆
Molecular Weight: 195.13
Synonyms: None
SMILES: O=N(=O)OCCNCCON(=O)=O
Tpsa: 116.77
Logp: -1.0074
H Acceptors: 7
H Donors: 1
Rotatable Bonds: 8
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₄H₉N₃O₆
Molecular Weight:
195.13
Synonyms:
None
SMILES:
O=N(=O)OCCNCCON(=O)=O
Tpsa:
116.77
Logp:
-1.0074
H Acceptors:
7
H Donors:
1
Rotatable Bonds:
8
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₅H₂₈BNO₂
Molecular Weight: 265.20
Synonyms: None
SMILES: C[C@]12[C@@]3(C(C)(C)[C@@](C3)(C[C@]1(OB([C@H](CCCC)N)O2)[H])[H])[H]
Tpsa: 44.48
Logp: 2.7714
H Acceptors: 3
H Donors: 1
Rotatable Bonds: 4
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₅H₂₈BNO₂
Molecular Weight:
265.20
Synonyms:
None
SMILES:
C[C@]12[C@@]3(C(C)(C)[C@@](C3)(C[C@]1(OB([C@H](CCCC)N)O2)[H])[H])[H]
Tpsa:
44.48
Logp:
2.7714
H Acceptors:
3
H Donors:
1
Rotatable Bonds:
4
Purity: 97%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₂H₁₅NO₂
Molecular Weight: 205.25
Synonyms: None
SMILES: O=C1NC(O)(C=2C=CC=CC12)CCCC
Tpsa: 49.33
Logp: 1.7653
H Acceptors: 2
H Donors: 2
Rotatable Bonds: 3
Purity:
97%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₂H₁₅NO₂
Molecular Weight:
205.25
Synonyms:
None
SMILES:
O=C1NC(O)(C=2C=CC=CC12)CCCC
Tpsa:
49.33
Logp:
1.7653
H Acceptors:
2
H Donors:
2
Rotatable Bonds:
3