CS-1001333
Dabigatran Etexilate Impurity 148
Manufacturer: ChemScene
CAS Number: 1416446-41-7
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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
C₃₁H₃₅N₇O₅
Molecular Weight
585.65
Synonyms
None
SMILES
O=C(OCCC)NC(=N)C1=CC=C(C=C1)NCC2=NC=3C=C(C=CC3N2C)C(=O)N(C4=NC=CC=C4)CCC(=O)OCC
Tpsa
151.53
Logp
4.64197
H Acceptors
10
H Donors
3
Rotatable Bonds
12
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: C₃₁H₃₅N₇O₅
Molecular Weight: 585.65
Synonyms: None
SMILES: O=C(OCCC)NC(=N)C1=CC=C(C=C1)NCC2=NC=3C=C(C=CC3N2C)C(=O)N(C4=NC=CC=C4)CCC(=O)OCC
Tpsa: 151.53
Logp: 4.64197
H Acceptors: 10
H Donors: 3
Rotatable Bonds: 12
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₃₁H₃₅N₇O₅
Molecular Weight:
585.65
Synonyms:
None
SMILES:
O=C(OCCC)NC(=N)C1=CC=C(C=C1)NCC2=NC=3C=C(C=CC3N2C)C(=O)N(C4=NC=CC=C4)CCC(=O)OCC
Tpsa:
151.53
Logp:
4.64197
H Acceptors:
10
H Donors:
3
Rotatable Bonds:
12
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₃₁H₄₆N₂O₅S
Molecular Weight: 558.77
Synonyms: None
SMILES: O=S(=O)(NC=1C=CC=2OC(=C(C2C1)C(O)C3=CC=C(OCCCN(CCCC)CCCC)C=C3)CCCC)C
Tpsa: 92.01
Logp: 6.8997
H Acceptors: 6
H Donors: 2
Rotatable Bonds: 18
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₃₁H₄₆N₂O₅S
Molecular Weight:
558.77
Synonyms:
None
SMILES:
O=S(=O)(NC=1C=CC=2OC(=C(C2C1)C(O)C3=CC=C(OCCCN(CCCC)CCCC)C=C3)CCCC)C
Tpsa:
92.01
Logp:
6.8997
H Acceptors:
6
H Donors:
2
Rotatable Bonds:
18
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₆H₁₄O₈P₂
Molecular Weight: 276.12
Synonyms: None
SMILES: P(OC(C(P(=O)(O)O)O)C)(=O)(O)[C@@H]1[C@H](C)O1
Tpsa: 136.82
Logp: -0.1822
H Acceptors: 5
H Donors: 4
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:
C₆H₁₄O₈P₂
Molecular Weight:
276.12
Synonyms:
None
SMILES:
P(OC(C(P(=O)(O)O)O)C)(=O)(O)[C@@H]1[C@H](C)O1
Tpsa:
136.82
Logp:
-0.1822
H Acceptors:
5
H Donors:
4
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: C₁₆H₁₆FN₃O₄
Molecular Weight: 333.31
Synonyms: None
SMILES: O=CNCCNC=1C=C2C(=CC1F)C(=O)C(=CN2C3CC3)C(=O)O
Tpsa: 100.43
Logp: 1.3316
H Acceptors: 5
H Donors: 3
Rotatable Bonds: 7
Purity:
97%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₆H₁₆FN₃O₄
Molecular Weight:
333.31
Synonyms:
None
SMILES:
O=CNCCNC=1C=C2C(=CC1F)C(=O)C(=CN2C3CC3)C(=O)O
Tpsa:
100.43
Logp:
1.3316
H Acceptors:
5
H Donors:
3
Rotatable Bonds:
7