CS-1004771
Argatroban Impurity 84
Manufacturer: ChemScene
CAS Number: 763920-64-5
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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
C₁₅H₂₈N₆O₅
Molecular Weight
372.42
Synonyms
None
SMILES
C([C@@H](CCCNC(NN(=O)=O)=N)N)(=O)N1[C@@H](C(OCC)=O)C[C@H](C)CC1
Tpsa
163.68
Logp
-0.41023
H Acceptors
7
H Donors
4
Rotatable Bonds
8
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: C₁₅H₂₈N₆O₅
Molecular Weight: 372.42
Synonyms: None
SMILES: C([C@@H](CCCNC(NN(=O)=O)=N)N)(=O)N1[C@@H](C(OCC)=O)C[C@H](C)CC1
Tpsa: 163.68
Logp: -0.41023
H Acceptors: 7
H Donors: 4
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:
C₁₅H₂₈N₆O₅
Molecular Weight:
372.42
Synonyms:
None
SMILES:
C([C@@H](CCCNC(NN(=O)=O)=N)N)(=O)N1[C@@H](C(OCC)=O)C[C@H](C)CC1
Tpsa:
163.68
Logp:
-0.41023
H Acceptors:
7
H Donors:
4
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: C₂₀H₂₈N₂O₅
Molecular Weight: 376.45
Synonyms: None
SMILES: C([C@@H](N[C@H](CCC1=CC=CC=C1)C(OCC)=O)C)(=O)N2[C@H](C(O)=O)CCC2
Tpsa: 95.94
Logp: 1.6046
H Acceptors: 5
H Donors: 2
Rotatable Bonds: 9
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₂₀H₂₈N₂O₅
Molecular Weight:
376.45
Synonyms:
None
SMILES:
C([C@@H](N[C@H](CCC1=CC=CC=C1)C(OCC)=O)C)(=O)N2[C@H](C(O)=O)CCC2
Tpsa:
95.94
Logp:
1.6046
H Acceptors:
5
H Donors:
2
Rotatable Bonds:
9
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₇H₁₂N₄O
Molecular Weight: 168.20
Synonyms: None
SMILES: O=C(N)C1=NNC(=C1N)CCC
Tpsa: 97.79
Logp: 0.0433
H Acceptors: 3
H Donors: 3
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:
C₇H₁₂N₄O
Molecular Weight:
168.20
Synonyms:
None
SMILES:
O=C(N)C1=NNC(=C1N)CCC
Tpsa:
97.79
Logp:
0.0433
H Acceptors:
3
H Donors:
3
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: C₂₃H₂₅NO₉
Molecular Weight: 459.45
Synonyms: None
SMILES: O[C@@]12[C@@]([C@@H](O)[C@]3(C(=C1O)C(=O)C=4C([C@@]3(C)O)=CC=CC4O)[H])([C@H](N(C)C)C(O)=C(C(C)=O)C2=O)[H]
Tpsa: 175.83
Logp: -0.1399
H Acceptors: 10
H Donors: 6
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:
C₂₃H₂₅NO₉
Molecular Weight:
459.45
Synonyms:
None
SMILES:
O[C@@]12[C@@]([C@@H](O)[C@]3(C(=C1O)C(=O)C=4C([C@@]3(C)O)=CC=CC4O)[H])([C@H](N(C)C)C(O)=C(C(C)=O)C2=O)[H]
Tpsa:
175.83
Logp:
-0.1399
H Acceptors:
10
H Donors:
6
Rotatable Bonds:
2