CS-0914877
Argatroban Impurity 54
Manufacturer: ChemScene
CAS Number: 450368-54-4
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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
C₂₅H₃₅N₇O₇S
Molecular Weight
577.65
Synonyms
None
SMILES
S(N[C@@H](C(=O)N1[C@@H](C(OCC)=O)C[C@H](C)CC1)CCCNC(NN(=O)=O)=N)(=O)(=O)C=2C3=C(C=CC2)C=C(C)C=N3
Tpsa
196.72
Logp
1.46619
H Acceptors
9
H Donors
4
Rotatable Bonds
11
SAFETY INFORMATION
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: C₂₅H₃₅N₇O₇S
Molecular Weight: 577.65
Synonyms: None
SMILES: S(N[C@@H](C(=O)N1[C@@H](C(OCC)=O)C[C@H](C)CC1)CCCNC(NN(=O)=O)=N)(=O)(=O)C=2C3=C(C=CC2)C=C(C)C=N3
Tpsa: 196.72
Logp: 1.46619
H Acceptors: 9
H Donors: 4
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:
C₂₅H₃₅N₇O₇S
Molecular Weight:
577.65
Synonyms:
None
SMILES:
S(N[C@@H](C(=O)N1[C@@H](C(OCC)=O)C[C@H](C)CC1)CCCNC(NN(=O)=O)=N)(=O)(=O)C=2C3=C(C=CC2)C=C(C)C=N3
Tpsa:
196.72
Logp:
1.46619
H Acceptors:
9
H Donors:
4
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: C₁₆H₂₁N₅O₄S
Molecular Weight: 379.43
Synonyms: None
SMILES: S(N[C@@H](CCCNC(=N)N)C(O)=O)(=O)(=O)C=1C2=C(C=C(C)C=N2)C=CC1
Tpsa: 158.26
Logp: 0.53799
H Acceptors: 5
H Donors: 5
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:
C₁₆H₂₁N₅O₄S
Molecular Weight:
379.43
Synonyms:
None
SMILES:
S(N[C@@H](CCCNC(=N)N)C(O)=O)(=O)(=O)C=1C2=C(C=C(C)C=N2)C=CC1
Tpsa:
158.26
Logp:
0.53799
H Acceptors:
5
H Donors:
5
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: C₆H₁₁N₃O₂
Molecular Weight: 157.17
Synonyms: None
SMILES: O=C(O)C=CCCNC(=N)N
Tpsa: 99.2
Logp: -0.49963
H Acceptors: 2
H Donors: 4
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:
C₆H₁₁N₃O₂
Molecular Weight:
157.17
Synonyms:
None
SMILES:
O=C(O)C=CCCNC(=N)N
Tpsa:
99.2
Logp:
-0.49963
H Acceptors:
2
H Donors:
4
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: C₈H₁₅NO₂
Molecular Weight: 157.21
Synonyms: None
SMILES: O=C(O)C(N)C1CC(C)(C)C1
Tpsa: 63.32
Logp: 0.8345
H Acceptors: 2
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:
C₈H₁₅NO₂
Molecular Weight:
157.21
Synonyms:
None
SMILES:
O=C(O)C(N)C1CC(C)(C)C1
Tpsa:
63.32
Logp:
0.8345
H Acceptors:
2
H Donors:
2
Rotatable Bonds:
2