CS-1002392
Dabigatran Etexilate Impurity 147
Manufacturer: ChemScene
CAS Number: 1970195-83-5
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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
C₁₈H₁₆N₄O₂
Molecular Weight
320.35
Synonyms
None
SMILES
N#CC1=CC=C(C=C1)NCC2=NC=3C=C(C=CC3N2C)C(=O)OC
Tpsa
79.94
Logp
2.84368
H Acceptors
6
H Donors
1
Rotatable Bonds
4
Other Options
| Image | Product Name | Manufacturer | Price Range | |
|---|---|---|---|---|
 | 1970195-83-5 | | A2B Chem | -- |
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: C₁₈H₁₆N₄O₂
Molecular Weight: 320.35
Synonyms: None
SMILES: N#CC1=CC=C(C=C1)NCC2=NC=3C=C(C=CC3N2C)C(=O)OC
Tpsa: 79.94
Logp: 2.84368
H Acceptors: 6
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:
C₁₈H₁₆N₄O₂
Molecular Weight:
320.35
Synonyms:
None
SMILES:
N#CC1=CC=C(C=C1)NCC2=NC=3C=C(C=CC3N2C)C(=O)OC
Tpsa:
79.94
Logp:
2.84368
H Acceptors:
6
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: C₂₃H₂₈BrNO₅
Molecular Weight: 478.38
Synonyms: None
SMILES: O[C@]12[C@@]34C=5C(O[C@]3(C(=O)CC1)[H])=C(OC(C)=O)C=CC5C[C@@]2([N+](CC6CC6)(C)CC4)[H].[Br-]
Tpsa: 72.83
Logp: -1.1063
H Acceptors: 5
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:
C₂₃H₂₈BrNO₅
Molecular Weight:
478.38
Synonyms:
None
SMILES:
O[C@]12[C@@]34C=5C(O[C@]3(C(=O)CC1)[H])=C(OC(C)=O)C=CC5C[C@@]2([N+](CC6CC6)(C)CC4)[H].[Br-]
Tpsa:
72.83
Logp:
-1.1063
H Acceptors:
5
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: C₃₄H₄₅N₃O₁₁S
Molecular Weight: 703.80
Synonyms: None
SMILES: O(C(N[C@@H](CC1=CC=CC=C1)[C@@H](CN(S(=O)(=O)C2=CC=C(NC(O[C@@H]3[C@]4([C@@](OC3)(OCC4)[H])[H])=O)C=C2)CC(C)C)O)=O)[C@@H]5[C@]6([C@@](OC5)(OCC6)[H])[H]
Tpsa: 171.19
Logp: 3.103
H Acceptors: 11
H Donors: 3
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:
C₃₄H₄₅N₃O₁₁S
Molecular Weight:
703.80
Synonyms:
None
SMILES:
O(C(N[C@@H](CC1=CC=CC=C1)[C@@H](CN(S(=O)(=O)C2=CC=C(NC(O[C@@H]3[C@]4([C@@](OC3)(OCC4)[H])[H])=O)C=C2)CC(C)C)O)=O)[C@@H]5[C@]6([C@@](OC5)(OCC6)[H])[H]
Tpsa:
171.19
Logp:
3.103
H Acceptors:
11
H Donors:
3
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: C₂₉H₃₃ClO₁₁
Molecular Weight: 593.02
Synonyms: None
SMILES: O(C(C)=O)[C@H]1[C@@](O)(O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O)C2=CC(CC3=CC=C(OCC)C=C3)=C(Cl)C=C2
Tpsa: 143.89
Logp: 3.2316
H Acceptors: 11
H Donors: 1
Rotatable Bonds: 10
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₂₉H₃₃ClO₁₁
Molecular Weight:
593.02
Synonyms:
None
SMILES:
O(C(C)=O)[C@H]1[C@@](O)(O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O)C2=CC(CC3=CC=C(OCC)C=C3)=C(Cl)C=C2
Tpsa:
143.89
Logp:
3.2316
H Acceptors:
11
H Donors:
1
Rotatable Bonds:
10