CS-1001365
Dabigatran Impurity 19
Manufacturer: ChemScene
CAS Number: 1422435-38-8
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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
C₂₈H₃₀N₆O₄
Molecular Weight
514.58
Synonyms
None
SMILES
O=C(OC)CCN(C(=O)C=1C=CC2=C(N=C(N2C)CNC3=CC=C(C=C3)C(=N)OCC)C1)C4=NC=CC=C4
Tpsa
122.43
Logp
4.15217
H Acceptors
9
H Donors
2
Rotatable Bonds
10
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: C₂₈H₃₀N₆O₄
Molecular Weight: 514.58
Synonyms: None
SMILES: O=C(OC)CCN(C(=O)C=1C=CC2=C(N=C(N2C)CNC3=CC=C(C=C3)C(=N)OCC)C1)C4=NC=CC=C4
Tpsa: 122.43
Logp: 4.15217
H Acceptors: 9
H Donors: 2
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:
C₂₈H₃₀N₆O₄
Molecular Weight:
514.58
Synonyms:
None
SMILES:
O=C(OC)CCN(C(=O)C=1C=CC2=C(N=C(N2C)CNC3=CC=C(C=C3)C(=N)OCC)C1)C4=NC=CC=C4
Tpsa:
122.43
Logp:
4.15217
H Acceptors:
9
H Donors:
2
Rotatable Bonds:
10
Purity: ≥95%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₂₉H₃₁N₅O₅
Molecular Weight: 529.59
Synonyms: None
SMILES: O=C(OCC)C1=CC=C(C=C1)NCC2=NC=3C=C(C=CC3N2C)C(=O)N(C4=NC=CC=C4)CCC(=O)OCC
Tpsa: 115.65
Logp: 4.3571
H Acceptors: 9
H Donors: 1
Rotatable Bonds: 11
Purity:
≥95%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₂₉H₃₁N₅O₅
Molecular Weight:
529.59
Synonyms:
None
SMILES:
O=C(OCC)C1=CC=C(C=C1)NCC2=NC=3C=C(C=CC3N2C)C(=O)N(C4=NC=CC=C4)CCC(=O)OCC
Tpsa:
115.65
Logp:
4.3571
H Acceptors:
9
H Donors:
1
Rotatable Bonds:
11
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₇H₉NO₄
Molecular Weight: 171.15
Synonyms: None
SMILES: O=C(O)CN1C(=O)C=C(OC)C1
Tpsa: 66.84
Logp: -0.5565
H Acceptors: 3
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:
C₇H₉NO₄
Molecular Weight:
171.15
Synonyms:
None
SMILES:
O=C(O)CN1C(=O)C=C(OC)C1
Tpsa:
66.84
Logp:
-0.5565
H Acceptors:
3
H Donors:
1
Rotatable Bonds:
3
Purity: ≥95%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₃₃H₃₄ClN₄+
Molecular Weight: 522.10
Synonyms: None
SMILES: ClC=1C=CC2=C(C1)CCC=3C=CC=NC3C2=C4CCN(CC5=CC(=C[N+](=C5)CC=6C=NC=C(C6)C)C)CC4
Tpsa: 32.9
Logp: 6.27914
H Acceptors: 3
H Donors: 0
Rotatable Bonds: 4
Purity:
≥95%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₃₃H₃₄ClN₄+
Molecular Weight:
522.10
Synonyms:
None
SMILES:
ClC=1C=CC2=C(C1)CCC=3C=CC=NC3C2=C4CCN(CC5=CC(=C[N+](=C5)CC=6C=NC=C(C6)C)C)CC4
Tpsa:
32.9
Logp:
6.27914
H Acceptors:
3
H Donors:
0
Rotatable Bonds:
4